SCHEMBL2379754

SCHEMBL2379754

CN(C)C1(c2ccccc2)CCC(=CC(=O)NCCc2ccc(F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
OPRM1 P35372 8/20 0.44
OPRL1 P41146 8/20 0.44
GAA P10253 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 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 SCHEMBL2378665 0.99 RAB9A (0.46) RAB9AKMT2AMEN1OPRM1OPRL1
SCHEMBL2378997 0.92 OPRL1 (0.51) OPRM1OPRL1POLBALDH1A1HPGD
Hydrochloric Acid SCHEMBL303067 0.91 OPRL1 (0.52) OPRM1OPRL1POLBALDH1A1HPGD
SCHEMBL2378267 0.90 OPRM1 (0.53) RAB9AKMT2AMEN1OPRM1OPRL1
SCHEMBL2379624 0.89 OPRL1 (0.54) RAB9AKMT2AOPRM1OPRL1NPC1
Hydrochloric Acid SCHEMBL2379072 0.89 OPRM1 (0.53) RAB9AKMT2AMEN1OPRM1OPRL1
Hydrochloric Acid SCHEMBL302160 0.88 OPRL1 (0.53) RAB9AKMT2AOPRM1OPRL1NPC1
SCHEMBL2379621 0.86 OPRM1 (0.60) KMT2AOPRM1OPRL1POLBPKM
Hydrochloric Acid SCHEMBL302718 0.85 OPRL1 (0.61) KMT2AOPRM1OPRL1POLB
SCHEMBL2379697 0.85 OPRM1 (0.56) KMT2AOPRM1OPRL1ALDH1A1HPGD

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 RAB9A 1391/4885KMT2A 2621/4885MEN1 2416/4885

“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.