SCHEMBL2378536

SCHEMBL2378536

CC(Cc1c[nH]c2ccccc12)NC(=O)C=C1CCC(c2ccccc2)(N(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.49
OPRM1 P35372 5/20 0.49
KDM4E B2RXH2 2/20 0.46
APAF1 O14727 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
ALOX15 P16050 1/20 0.45
ACE P12821 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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 SCHEMBL2382884 0.99 OPRL1 (0.48) OPRL1OPRM1KDM4EAPAF1POLB
SCHEMBL2378645 0.93 MEN1 (0.43) OPRL1OPRM1KDM4EAPAF1POLB
Hydrochloric Acid SCHEMBL302609 0.92 MEN1 (0.43) OPRL1OPRM1KDM4EAPAF1POLB
SCHEMBL2378247 0.91 OPRM1 (0.43) OPRL1OPRM1KDM4EMAPTALDH1A1
SCHEMBL3364830 0.90 ALOX15 (0.56) OPRL1OPRM1POLBMAPTALDH1A1
Hydrochloric Acid SCHEMBL302387 0.90 OPRM1 (0.42) OPRL1OPRM1KDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL3367983 0.89 ALOX15 (0.55) OPRL1OPRM1MAPK1ALOX15ACE
SCHEMBL2379077 0.88 KMT2A (0.52) OPRL1OPRM1MAPTALOX15FPR1
SCHEMBL2379016 0.88 KMT2A (0.52) OPRL1OPRM1MAPTALOX15FPR1
Hydrochloric Acid SCHEMBL2380910 0.88 KMT2A (0.52) OPRL1OPRM1MAPTALOX15FPR1

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 6 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

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 OPRL1 2478/4885OPRM1 3702/4885KDM4E 2519/4885

“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.