SCHEMBL4048457

SCHEMBL4048457

Cc1ccc(CC2(N(C)C)CCC(C(N)=O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
ATM Q13315 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
AQP3 Q92482 1/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 2/20 0.36
OPRK1 P41145 1/20 0.36
IDO1 P14902 1/20 0.35

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
SCHEMBL4047848 0.87 GAA (0.45) ALDH1A1KDM4ELMNAOPRM1OPRL1
SCHEMBL5572918 0.87 ATM (0.43) SMN1; SMN2ATMALDH1A1KDM4EOPRM1
SCHEMBL4055242 0.87 OPRL1 (0.50) SMN1; SMN2TSHRALDH1A1KDM4EOPRM1
SCHEMBL5572217 0.84 SSTR4 (0.45) LMNAOPRM1OPRL1NPC1
SCHEMBL4048459 0.80 OPRL1 (0.41) OPRM1OPRL1AQP3OPRK1IDO1
SCHEMBL14028132 0.79 OPRM1 (0.41) SMN1; SMN2TSHRHPGDLMNAOPRM1
SCHEMBL5572637 0.78 ALDH1A1 (0.43) TSHRALDH1A1KDM4EHPGDLMNA
SCHEMBL4046960 0.78 SSTR1 (0.42) ALDH1A1KDM4ENPC1IDO1
SCHEMBL5290991 0.78 KMT2A (0.43) ATMALDH1A1OPRM1OPRL1RAB9A
SCHEMBL4867855 0.75 LMNA (0.48) SMN1; SMN2ALDH1A1LMNARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751088-B1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-10-08 EP claimed
US-7476763-B2 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2009-01-13 US claimed
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 US claimed
US-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-04-19 US claimed
US-7476763-B2 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2009-01-13 US disclosed
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 US disclosed
US-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-04-19 US disclosed
EP-1745009-A1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 EP disclosed
WO-2005110971-A1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 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-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds DDC, DPYD, PKD1 SMN1; SMN2 1685/4885ATM 4670/4885TSHR 4395/4885
US-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds AOC1, ODC1, OTC SMN1; SMN2 472/4885ATM 4547/4885TSHR 4133/4885

“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.