SCHEMBL2380132

SCHEMBL2380132

CN(C)C1(c2ccccc2)CCC(CC(=O)NCCCCc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.65
OPRL1 P41146 12/20 0.65
EPHX2 P34913 1/20 0.53
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
EPHX1 P07099 1/20 0.45

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 SCHEMBL301795 0.99 OPRM1 (0.66) OPRM1OPRL1EPHX2ALDH1A1HPGD
SCHEMBL2379652 0.97 OPRM1 (0.69) OPRM1OPRL1EPHX2HPGDKMT2A
Hydrochloric Acid SCHEMBL302167 0.96 OPRM1 (0.70) OPRM1OPRL1EPHX2HPGDL3MBTL1
SCHEMBL2380040 0.92 EPHX2 (0.63) OPRM1OPRL1EPHX2
Hydrochloric Acid SCHEMBL302131 0.91 EPHX2 (0.62) OPRM1OPRL1EPHX2
SCHEMBL302123 0.89 OPRM1 (0.60) OPRM1OPRL1EPHX2HPGDKMT2A
Hydrochloric Acid SCHEMBL2379631 0.89 OPRM1 (0.61) OPRM1OPRL1EPHX2HPGDKMT2A
SCHEMBL2379972 0.87 OPRM1 (0.57) OPRM1OPRL1EPHX2HPGDKMT2A
Hydrochloric Acid SCHEMBL302048 0.86 OPRM1 (0.58) OPRM1OPRL1EPHX2HPGDKMT2A
SCHEMBL303134 0.82 OPRL1 (0.61) OPRM1OPRL1KMT2A

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 2478/4885EPHX2 987/4885

“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.