SCHEMBL448531

SCHEMBL448531

CC(C)(CC(N)(Cc1nc2ccccc2[nH]1)C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.42
HTT P42858 3/20 0.41
POLB P06746 2/20 0.41
DRD4 P21917 1/20 0.41
ALDH1A1 P00352 2/20 0.40
EGFR P00533 1/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.38
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL292904 0.89 DDAH1 (0.42) DDAH1HTTPOLBALDH1A1KDM4E
SCHEMBL293984 0.83 NR3C1 (0.47) HTTGAAPKMLMNA
SCHEMBL9987145 0.81 DDAH1 (0.37) DDAH1HTTPOLBALDH1A1KDM4E
SCHEMBL4562346 0.75 DDAH1 (0.59) DDAH1POLBKDM4EGAANPC1
SCHEMBL291171 0.75 NR3C1 (0.40) HTTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL292461 0.75 NR3C1 (0.48)
SCHEMBL292375 0.74 LOXL2 (0.40) RAB9A
SCHEMBL10761755 0.73 DDAH1 (0.61) DDAH1POLBGAANPC1RAB9A
SCHEMBL23301149 0.72 DDAH1 (0.54) DDAH1POLBGAANPC1RAB9A
SCHEMBL4457481 0.70 KDM4E (0.41) DDAH1HTTPOLBDRD4ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014787-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-01-19 US claimed
EP-1513810-A1 4-(ARYL OR HETEROARYL) -2-BUTYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-03-16 EP claimed
US-20040010148-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-01-15 US claimed
WO-2003104195-A1 4-(ARYL OR HETEROARYL) -2-BUTYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-12-18 WO claimed
EP-2056799-B1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING GLAUCOMA OR PROGRESSION THEREOF BAUSCH & LOMB (US) 2013-07-31 EP disclosed
EP-2203160-B1 PHARMACOLOGICAL ADJUNCTIVE TREATMENT ASSOCIATED WITH GLAUCOMA FILTRATION SURGERY BAUSCH & LOMB (US) 2013-07-17 EP disclosed
EP-2190431-B1 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST FOR TREATING OR CONTROLLING ANTERIOR-SEGMENT INFLAMMATION BAUSCH & LOMB (US) 2013-07-03 EP disclosed
EP-2364707-B1 Compositions and methods for treating, controlling, reducing, or ameliorating infections and sequelae thereof BAUSCH & LOMB (US) 2013-04-03 EP disclosed
US-20120316199-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFLAMMATORY PAIN SOLTA MEDICAL IRELAND LIMITED (IE) 2012-12-13 US disclosed
US-20120065228-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING OCULAR INFLAMMATORY WITH LOWER RISK OF INCREASED INTRAOCULAR PRESSURE SOLTA MEDICAL, INC. 2012-03-15 US disclosed
EP-2397140-A1 Compositions and methods for treating or preventing glaucoma or progression thereof BAUSCH & LOMB INCORPORATED (US) 2011-12-21 EP disclosed
US-20110281882-A1 Compositions and Methods for Treating, Controlling, Reducing, or Ameliorating Inflammatory Pain 1261229 B.C. LTD. (CA) 2011-11-17 US disclosed
US-20080058373-A1 Compositions and Methods for Treating or Preventing Glaucoma or Progression Thereof VRX HOLDCO LLC 2008-03-06 US disclosed
WO-2008027796-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING GLAUCOMA OR PROGRESSION THEREOF BAUSCH & LOMB INCORPORATED (US) 2008-03-06 WO disclosed
WO-2008021729-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB INCORPORATED (US) 2008-02-21 WO disclosed
US-20080031884-A1 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH HEALTH US, LLC 2008-02-07 US disclosed
US-20080033008-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFECTIONS AND SEQUELAE THEREOF BAUSCH HEALTH COMPANIES INC. (CA) 2008-02-07 US disclosed
US-20080009437-A1 Pharmaceutical Compositions and Method for Treating Dry Eye SALIX PHARMACEUTICALS, INC. 2008-01-10 US disclosed
US-7074806-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-11 US disclosed
US-20060014787-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-01-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110281882-A1 Compositions and Methods for Treating, Controlling, Reducing, or Ameliorating Inflammatory Pain PTGIR, MC2R, NR3C1 DDAH1 803/4885HTT 3339/4885POLB 2841/4885
US-20080033008-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFECTIONS AND SEQUELAE THEREOF NR3C1, GNRHR, GSR DDAH1 1076/4885HTT 3849/4885POLB 1632/4885
US-20080031884-A1 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES PTGIR, GCGR, NR3C1 DDAH1 1895/4885HTT 3695/4885POLB 1075/4885
US-20080009437-A1 Pharmaceutical Compositions and Method for Treating Dry Eye NR3C1, GCGR, GPBAR1 DDAH1 2157/4885HTT 4296/4885POLB 3744/4885
US-20080058373-A1 Compositions and Methods for Treating or Preventing Glaucoma or Progression Thereof PTGIR, PTGDR, NR3C1 DDAH1 753/4885HTT 2513/4885POLB 2294/4885
US-20120065228-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING OCULAR INFLAMMATORY WITH LOWER RISK OF INCREASED INTRAOCULAR PRESSURE PTGIR, NR3C1, PTGDR DDAH1 1108/4885HTT 3711/4885POLB 3270/4885
US-20060014787-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, MC2R, NR3C2 DDAH1 3576/4885HTT 1823/4885POLB 3172/4885
US-20040010148-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R DDAH1 3039/4885HTT 2596/4885POLB 2851/4885
US-20120316199-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFLAMMATORY PAIN PTGIR, MC2R, NR3C1 DDAH1 803/4885HTT 3339/4885POLB 2841/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.