SCHEMBL315909

SCHEMBL315909

O=C(NC1CCC(c2ccccc2)(N2CCCCC2)CC1)c1cccnc1Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.51
CNR1 P21554 4/20 0.51
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK8 P45983 2/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL5242859 0.85 CNR2 (0.43) CNR2CNR1ALDH1A1MAPK8GAA
SCHEMBL316670 0.84 CNR2 (0.56) CNR2CNR1ALDH1A1KMT2AMEN1
SCHEMBL316867 0.83 CNR2 (0.54) CNR2CNR1ALDH1A1MAPK8
SCHEMBL317252 0.81 ALDH1A1 (0.52) CNR2CNR1ALDH1A1KMT2AMAPK8
SCHEMBL6457540 0.76 ALDH1A1 (0.63) CNR2CNR1ALDH1A1KMT2AMAPK8
SCHEMBL6207330 0.76 CNR2 (0.72) CNR2CNR1ALDH1A1KMT2AMAPK8
SCHEMBL6457547 0.76 ALDH1A1 (0.63) CNR2CNR1ALDH1A1KMT2AMAPK8
SCHEMBL6207332 0.76 CNR2 (0.72) CNR2CNR1ALDH1A1KMT2AMAPK8
SCHEMBL5572496 0.76 ALDH1A1 (0.56) ALDH1A1
SCHEMBL2983715 0.76 GRIN2D (0.45) ALDH1A1KMT2AMEN1KDM4E

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-1745009-B1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2012-11-14 EP claimed
US-8093272-B2 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2012-01-10 US claimed
JP-2007536321-A 2007-12-13 JP claimed
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 US claimed
EP-1745009-A1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 EP claimed
WO-2005110971-A1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 WO claimed
EP-1745009-B1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2012-11-14 EP disclosed
US-8093272-B2 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2012-01-10 US disclosed
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 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 (1 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 CNR2 1164/4885CNR1 920/4885ALDH1A1 119/4885

“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.