SCHEMBL4352646

SCHEMBL4352646

CN(C)C1(c2ccccc2)CCC(N2CCCC2)CC1

nearest known ligand 0.97

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 16/20 0.97
▸ OPRM1 P35372 11/20 0.56
▸ OPRK1 P41145 3/20 0.56
▸ MBTD1 Q05BQ5 1/20 0.47
▸ L3MBTL3 Q96JM7 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SLC18A3 Q16572 1/20 0.46

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 SCHEMBL11077198 0.98 OPRL1 (0.97) OPRL1OPRM1OPRK1MBTD1L3MBTL3
SCHEMBL2779077 0.98 OPRL1 (1.00) OPRL1OPRM1OPRK1MBTD1L3MBTL3
Hydrochloric Acid SCHEMBL2784498 0.97 OPRL1 (1.00) OPRL1OPRM1OPRK1MBTD1L3MBTL3
Hydrochloric Acid SCHEMBL11078593 0.97 OPRL1 (0.94) OPRL1OPRM1OPRK1MBTD1L3MBTL3
Hydrochloric Acid SCHEMBL11075754 0.85 OPRL1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL11061930 0.78 OPRL1 (0.67) OPRL1OPRM1MBTD1L3MBTL3L3MBTL1
SCHEMBL2779771 0.78 OPRL1 (0.60) OPRL1OPRM1
Hydrochloric Acid SCHEMBL2781838 0.77 OPRL1 (0.61) OPRL1OPRM1
SCHEMBL4562996 0.76 OPRL1 (0.60) OPRL1OPRM1OPRK1MBTD1L3MBTL3
SCHEMBL2781912 0.76 OPRL1 (0.58) OPRL1OPRM1

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
CN-103183630-A Substituted 4-aminocyclohexane derivatives GRUENENTHAL GMBH 2013-07-03 — — CN claimed
US-9580386-B2 Substituted 4-aminocyclohexane derivatives GRÜNENTHAL (DE) 2017-02-28 — — US disclosed
US-9403767-B2 Substituted 4-aminocyclohexane derivatives GRUENENTHAL GMBH (DE) 2016-08-02 — — US disclosed
US-20140357634-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2014-12-04 — — US disclosed
US-8835689-B2 Substituted 4-aminocyclohexane derivatives Grünenthal GmbH (DE) 2014-09-16 — — US disclosed
CN-102046595-B Substituted 4-aminocyclohexane derivatives GRUENENTHAL GMBH 2014-03-05 — — CN disclosed
US-20130197095-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2013-08-01 — — US disclosed
CN-103183630-A Substituted 4-aminocyclohexane derivatives GRUENENTHAL GMBH 2013-07-03 — — CN disclosed
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2012-08-09 — — US disclosed
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 — — US disclosed
US-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 — — US disclosed
US-4113866-A ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT THE UPJOHN COMPANY (US) 1978-09-12 — — 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 (4 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-20140357634-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRL1 1/4885OPRM1 4/4885OPRK1 2/4885
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRL1 1/4885OPRM1 4/4885OPRK1 2/4885
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRL1 1/4885OPRM1 4/4885OPRK1 2/4885
US-20130197095-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRL1 1/4885OPRM1 4/4885OPRK1 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.

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