SCHEMBL2378645

SCHEMBL2378645

CC(Cc1c[nH]c2ccccc12)NC(=O)C=C1CCC(c2ccc(F)cc2)(N(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FPR2 P25090 2/20 0.43
FPR1 P21462 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
OPRM1 P35372 5/20 0.42
OPRL1 P41146 5/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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 SCHEMBL302609 0.99 MEN1 (0.43) MEN1KMT2AFPR2FPR1KDM4E
SCHEMBL2378536 0.93 OPRL1 (0.49) FPR2FPR1KDM4EALDH1A1MAPK1
Hydrochloric Acid SCHEMBL2382884 0.92 OPRL1 (0.48) FPR2FPR1KDM4EALDH1A1MAPK1
SCHEMBL2378247 0.91 OPRM1 (0.43) MEN1KMT2AFPR2FPR1KDM4E
Hydrochloric Acid SCHEMBL302387 0.90 OPRM1 (0.42) MEN1KMT2AFPR2FPR1KDM4E
SCHEMBL2379182 0.84 SIRT1 (0.53) MEN1KMT2AOPRM1OPRL1CDK4
Hydrochloric Acid SCHEMBL2380775 0.83 SIRT1 (0.52) MEN1KMT2AOPRM1OPRL1CDK4
SCHEMBL3364830 0.83 ALOX15 (0.56) KMT2AALDH1A1MAPK1OPRM1OPRL1
Hydrochloric Acid SCHEMBL3367983 0.82 ALOX15 (0.55) KMT2AMAPK1OPRM1OPRL1ITGB2
SCHEMBL2379077 0.82 KMT2A (0.52) MEN1KMT2AFPR2FPR1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017630-B2 Cyclohexylacetic acid compounds GRUENENTHAL GMBH (DE) 2011-09-13 US claimed
EP-1751093-B1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2010-10-06 EP claimed
US-20070129347-A1 Cyclohexylacetic acid compounds GRUENENTHAL GMBH (DE) 2007-06-07 US claimed
US-8017630-B2 Cyclohexylacetic acid compounds GRUENENTHAL GMBH (DE) 2011-09-13 US disclosed
EP-1751093-B1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2010-10-06 EP disclosed
US-20070129347-A1 Cyclohexylacetic acid compounds GRUENENTHAL GMBH (DE) 2007-06-07 US disclosed
EP-1751093-A1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES Grünenthal GmbH (DE) 2007-02-14 EP disclosed
WO-2005110976-A1 SUBSTITUTED CYCLOHEXYLACETIC ACID 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 (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-20070129347-A1 Cyclohexylacetic acid compounds ACACA, HCAR2, PCCA MEN1 2416/4885KMT2A 2621/4885FPR2 2953/4885

“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.