SCHEMBL4014546

SCHEMBL4014546

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.46
OPRL1 P41146 13/20 0.46
OPRK1 P41145 6/20 0.46
OPRD1 P41143 2/20 0.46
HSD11B1 P28845 2/20 0.42
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL10476540 0.84 OPRM1 (0.60) OPRM1OPRL1OPRK1OPRD1
SCHEMBL11078629 0.83 OPRL1 (0.51) OPRM1OPRL1OPRK1HSD11B1MEN1
Hydrochloric Acid SCHEMBL1141265 0.82 OPRM1 (0.58) OPRM1OPRL1OPRK1OPRD1
SCHEMBL4022665 0.81 OPRM1 (0.44) OPRM1OPRL1OPRK1HSD11B1MEN1
SCHEMBL517788 0.81 OPRM1 (0.44) OPRM1OPRL1OPRK1HSD11B1MEN1
SCHEMBL517752 0.81 OPRL1 (0.69) OPRM1OPRL1OPRK1MEN1CYP2C9
SCHEMBL16823730 0.80 OPRL1 (0.50) OPRM1OPRL1OPRK1OPRD1
Hydrochloric Acid SCHEMBL11098093 0.80 OPRM1 (0.42) OPRM1OPRL1OPRK1HSD11B1MEN1
SCHEMBL3404808 0.79 OPRM1 (0.65) OPRM1OPRL1OPRK1
SCHEMBL11099050 0.79 OPRM1 (0.46) OPRM1OPRL1OPRK1HSD11B1MEN1

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 12 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-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 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.