SCHEMBL4022665

SCHEMBL4022665

CN(C)C1(c2ccc(Cl)cc2)CCC(=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.44
OPRL1 P41146 9/20 0.44
OPRK1 P41145 3/20 0.44
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
SLC6A2 P23975 2/20 0.41
HSD11B1 P28845 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36

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 SCHEMBL11098093 0.98 OPRM1 (0.42) OPRM1OPRL1OPRK1SLC6A4SLC6A3
Ethylene SCHEMBL11079292 0.96 OPRM1 (0.41) OPRM1OPRL1OPRK1SLC6A4SLC6A3
SCHEMBL11079210 0.84 SLC6A4 (0.36) OPRM1OPRL1OPRK1SLC6A4SLC6A3
SCHEMBL11078629 0.83 OPRL1 (0.51) OPRM1OPRL1OPRK1HSD11B1KMT2A
SCHEMBL11079009 0.83 SLC6A4 (0.38) OPRM1OPRL1OPRK1SLC6A4SLC6A3
SCHEMBL517788 0.81 OPRM1 (0.44) OPRM1OPRL1OPRK1SLC6A4SLC6A3
SCHEMBL4014546 0.81 OPRM1 (0.46) OPRM1OPRL1OPRK1HSD11B1KMT2A
SCHEMBL11073351 0.81 SLC6A3 (0.36) OPRM1OPRL1OPRK1SLC6A4SLC6A3
SCHEMBL517752 0.81 OPRL1 (0.69) OPRM1OPRL1OPRK1KMT2AMEN1
SCHEMBL11093629 0.81 SLC6A3 (0.56) SLC6A4SLC6A3SLC6A2KCNH2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4460604-A ANALGESICS, NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1984-07-17 US claimed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 US claimed
EP-1406858-B1 SUBSTITUTED 4-AMINOCYCLOHEXANOLS GRUENENTHAL GMBH (DE) 2009-07-01 EP disclosed
US-7183436-B2 Substituted 4-aminocyclohexanols GRUENENTHAL GMBH (DE) 2007-02-27 US disclosed
US-20040236104-A1 Substituted 4-aminocyclohexanols GRUENENTHAL GMBH (DE) 2004-11-25 US disclosed
EP-1406858-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOLS Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003008370-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOLS Grünenthal GmbH (DE) 2003-01-30 WO disclosed
US-4460604-A ANALGESICS, NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1984-07-17 US disclosed
US-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 US disclosed
US-4366172-A ANALGESICS THE UPJOHN COMPANY (US) 1982-12-28 US disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4143156-A ANALGESICS THE UPJOHN COMPANY (US) 1979-03-06 US disclosed
US-4115589-A 1-(HYDROXYMETHYL)-4-(DIALKYLAMINO)-4-PHENYLCYCLOHEXANOLS, ANALGESICS THE UPJOHN COMPANY (US) 1978-09-19 US disclosed
US-4113866-A ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT THE UPJOHN COMPANY (US) 1978-09-12 US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 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-20040236104-A1 Substituted 4-aminocyclohexanols CNR2, OPRK1, OPRL1 OPRM1 7/4885OPRL1 3/4885OPRK1 2/4885

“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.