SCHEMBL2378247

SCHEMBL2378247

CC(Cc1c[nH]c2ccccc12)NC(=O)C=C1CCC(c2cccc(F)c2)(N(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.43
OPRL1 P41146 9/20 0.43
MAPT P10636 1/20 0.43
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
ITGB2 P05107 2/20 0.40
ICAM1 P05362 2/20 0.40
ITGAL P20701 2/20 0.40
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
OGFRL1 Q5TC84 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39

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 SCHEMBL302387 0.99 OPRM1 (0.42) OPRM1OPRL1MAPTCDK4CCND1
SCHEMBL2378645 0.91 MEN1 (0.43) OPRM1OPRL1MAPTCDK4CCND1
SCHEMBL2378536 0.91 OPRL1 (0.49) OPRM1OPRL1MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL302609 0.90 MEN1 (0.43) OPRM1OPRL1MAPTCDK4CCND1
Hydrochloric Acid SCHEMBL2382884 0.90 OPRL1 (0.48) OPRM1OPRL1MAPTKDM4EALDH1A1
SCHEMBL2378734 0.85 MAPT (0.55) OPRM1OPRL1MAPTCDK4CCND1
Hydrochloric Acid SCHEMBL303144 0.84 MAPT (0.55) OPRM1OPRL1MAPTCDK4CCND1
SCHEMBL2379177 0.82 OPRL1 (0.47) OPRM1OPRL1MAPTCDK4CCND1
Hydrochloric Acid SCHEMBL2378245 0.81 OPRL1 (0.46) OPRM1OPRL1MAPTCDK4CCND1
SCHEMBL3364830 0.81 ALOX15 (0.56) OPRM1OPRL1MAPTALDH1A1MAPK1

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 OPRM1 3702/4885OPRL1 2478/4885MAPT 1493/4885

“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.