SCHEMBL128071

SCHEMBL128071

c1ccc(C(CCNCCN2CCOCC2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.57
KDM1A O60341 2/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
KCNH2 Q12809 2/20 0.49
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
Hydrochloric Acid SCHEMBL126742 0.98 ACHE (0.56) ACHEKDM1AALDH1A1KDM4ELMNA
SCHEMBL130129 0.92 ACHE (0.50) ACHEKDM1AALDH1A1KDM4ELMNA
SCHEMBL126320 0.89 CASR (0.54) ACHEALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL170262 0.87 LMNA (0.46) ACHEKDM1AALDH1A1KDM4ELMNA
SCHEMBL126714 0.86 ALDH1A1 (0.55) ACHEKDM1AALDH1A1KDM4ELMNA
SCHEMBL132498 0.86 ALDH1A1 (0.60) ACHEKDM1AALDH1A1KDM4ELMNA
SCHEMBL126448 0.85 CYP1A2 (0.46) ACHEKDM1AALDH1A1KDM4ELMNA
SCHEMBL125814 0.84 SIGMAR1 (0.59) KDM1AALDH1A1KCNH2SIGMAR1
SCHEMBL128328 0.82 KCNH2 (0.49) KCNH2DRD2DRD4OPRM1DRD3
SCHEMBL11584567 0.81 ACHE (0.62) ACHEALDH1A1POLBSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
US-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 US disclosed
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 US disclosed
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 US disclosed
EP-1874765-B1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE AND USES THEREOF GALAPAGOS SAS (FR) 2012-03-07 EP disclosed
EP-1874765-B1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE AND USES THEREOF GALAPAGOS SAS (FR) 2012-03-07 EP disclosed
EP-2354137-A1 Urea derivatives, methods for their manufacture, and uses thereof Galapagos SAS (FR) 2011-08-10 EP disclosed
EP-2354137-A1 Urea derivatives, methods for their manufacture, and uses thereof Galapagos SAS (FR) 2011-08-10 EP disclosed
US-7875609-B2 3-(4-chlorophenyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea; treatment of the cancer of the parathyroid and the digestive tract; osteoporosis, osteopaenia and Paget's disease, rheumatoid arthritis and osteoarthritis GALAPAGOS SASU (FR) 2011-01-25 US disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
EP-1965805-B1 UREA DERIVATIVES USEFUL AS CALCIUM RECEPTOR MODULATORS GALAPAGOS SAS (FR) 2009-12-02 EP disclosed
EP-1965805-B1 UREA DERIVATIVES USEFUL AS CALCIUM RECEPTOR MODULATORS GALAPAGOS SAS (FR) 2009-12-02 EP disclosed
EP-1965805-A1 UREA DERIVATIVES USEFUL AS CALCIUM RECEPTOR MODULATORS Proskelia SAS (FR) 2008-09-10 EP disclosed
EP-1874765-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF Proskelia SAS (FR) 2008-01-09 EP disclosed
US-20070179134-A1 Urea derivatives, processes for their preparation, their use as medicaments, and pharmaceutical compositions containing them PROSKELIA SAS. (FR) 2007-08-02 US disclosed
WO-2007060026-A1 UREA DERIVATIVES USEFUL AS CALCIUM RECEPTOR MODULATORS GALAPAGOS SAS (FR) 2007-05-31 WO disclosed
WO-2007060026-A1 UREA DERIVATIVES USEFUL AS CALCIUM RECEPTOR MODULATORS GALAPAGOS SAS (FR) 2007-05-31 WO disclosed
WO-2006117211-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF PROSKELIA SAS (FR) 2006-11-09 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 (3 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-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR UTS2R, UGP2, SLC14A1 ACHE 1498/4885KDM1A 1269/4885ALDH1A1 375/4885
US-20070179134-A1 Urea derivatives, processes for their preparation, their use as medicaments, and pharmaceutical compositions containing them UTS2R, CACNA1A, CACNA1E ACHE 977/4885KDM1A 1755/4885ALDH1A1 1241/4885
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof UGP2, UTS2R, UMPS ACHE 877/4885KDM1A 1139/4885ALDH1A1 564/4885

“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.