SCHEMBL2379208

SCHEMBL2379208

CN(C)C1(c2ccccc2)CCC(=CC(=O)Nc2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
OPRM1 P35372 13/20 0.44
OPRL1 P41146 13/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
OPRK1 P41145 2/20 0.42
TGM2 P21980 1/20 0.40
OGA O60502 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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 SCHEMBL303289 0.99 EGFR (0.43) EGFRMMP1MMP2MMP9OPRM1
SCHEMBL2379624 0.83 OPRL1 (0.54) OPRM1OPRL1KMT2AKDM4ENPC1
Hydrochloric Acid SCHEMBL302160 0.82 OPRL1 (0.53) OPRM1OPRL1KMT2AKDM4ENPC1
SCHEMBL2379754 0.81 RAB9A (0.47) OPRM1OPRL1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL2378665 0.80 RAB9A (0.46) OPRM1OPRL1MEN1KMT2ANPC1
SCHEMBL4697957 0.79 OPRM1 (0.42) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL2378965 0.78 OPRM1 (0.41) OPRM1OPRL1OPRK1
SCHEMBL2781209 0.78 OPRM1 (0.57) OPRM1OPRL1OPRK1
SCHEMBL2378267 0.77 OPRM1 (0.53) OPRM1OPRL1MEN1KMT2AHTT
SCHEMBL2378581 0.77 OPRM1 (0.53) OPRM1OPRL1OPRK1

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 EGFR 1726/4885MMP1 2803/4885MMP2 1224/4885

“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.