SCHEMBL4436038

SCHEMBL4436038

O=C(CO)C1(c2ccc(F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD11B1 P28845 9/20 0.45
OPRM1 P35372 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HDAC1 Q13547 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL24663630 0.83 HSD11B1 (0.49) APPCYP3A4CYP2C9CYP2C19HSD11B1
SCHEMBL4438201 0.81 HSD11B1 (0.46) CYP3A4CYP2C9CYP2C19HSD11B1OPRM1
SCHEMBL5007609 0.81 HSD11B1 (0.53) HSD11B1OPRM1LMNAALDH1A1KMT2A
SCHEMBL4446502 0.80 THRB (0.50) APPOPRM1HDAC1SLC6A3
SCHEMBL4555582 0.80 AKR1C1 (0.53) HSD11B1OPRM1LMNANPSR1MEN1
SCHEMBL3970990 0.79 HSD11B1 (0.49) APPCYP3A4CYP2C9CYP2C19HSD11B1
SCHEMBL301150 0.78 APP (0.61) APPCYP3A4CYP2C9CYP2C19HSD11B1
SCHEMBL12020420 0.78 HSD11B1 (0.47) APPCYP3A4CYP2C9CYP2C19HSD11B1
SCHEMBL4440466 0.76 SLC6A4 (0.46) CYP3A4HDAC1SLC6A3
SCHEMBL12745718 0.76 HSD11B1 (0.46) APPCYP3A4CYP2C9CYP2C19HSD11B1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735426-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2014-05-27 US disclosed
EP-2134692-A2 QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION Wyeth a Corporation of the State of Delaware (US) 2009-12-23 EP disclosed
US-20080275044-A1 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2008-11-06 US disclosed
US-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins WYETH (US) 2008-10-16 US disclosed
WO-2008121817-A2 QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION WYETH (US) 2008-10-09 WO 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 (2 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-20080275044-A1 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions TRPV1, TRPV2, TRPV3 APP 2108/4885CYP3A4 2326/4885CYP2C9 2539/4885
US-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins VCAM1, ICAM1, SELE APP 3132/4885CYP3A4 2973/4885CYP2C9 4576/4885

“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.