SCHEMBL150238

SCHEMBL150238

CN(C)C1(C)CCCCC1(O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 6/20 0.44
▸ OPRM1 P35372 5/20 0.44
▸ OPRK1 P41145 3/20 0.44
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.40

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
SCHEMBL2515981 0.82 OPRM1 (0.49) OPRM1OPRK1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2518903 0.80 OPRM1 (0.48) OPRM1OPRK1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2518902 0.80 OPRM1 (0.48) OPRM1OPRK1SLC6A2SLC6A4
SCHEMBL9618251 0.80 AKR1C1 (0.52) OPRM1SLC6A2SLC6A4SLC6A3AKR1C1
SCHEMBL8434812 0.78 SLC6A2 (0.52) OPRL1OPRM1OPRK1SLC6A2SLC6A4
SCHEMBL5516837 0.78 SLC6A2 (0.52) OPRL1OPRM1OPRK1SLC6A2SLC6A4
SCHEMBL11307256 0.77 OPRL1 (0.47) OPRL1OPRM1OPRK1SLC6A2SLC6A4
SCHEMBL9066328 0.75 AKR1C1 (0.46) OPRL1OPRM1OPRK1AKR1C1
SCHEMBL15352663 0.74 AKR1C1 (0.47) SLC6A2SLC6A4SLC6A3AKR1C1
SCHEMBL2857850 0.70 OPRM1 (0.45) OPRL1OPRM1OPRK1AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10160719-B2 Pharmaceutical salts GRUNENTHAL GMBH (DE) 2018-12-25 — — US disclosed
US-20170137370-A1 PHARMACEUTICAL SALTS Grünenthal GmbH (DE) 2017-05-18 — — US disclosed
US-20120059066-A1 PHARMACEUTICAL SALTS GRUNENTHAL GMBH (DE) 2012-03-08 — — US disclosed
US-20050176790-A1 Pharmaceutical salts GRUNENTHAL GMBH (DE) 2005-08-11 — — 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-20050176790-A1 Pharmaceutical salts SLC5A1, SLC5A2, SLC35A1 OPRL1 2752/4885OPRM1 2171/4885OPRK1 1625/4885
US-20120059066-A1 PHARMACEUTICAL SALTS SLC5A1, SLC5A2, SLC35A1 OPRL1 2913/4885OPRM1 2283/4885OPRK1 1831/4885
US-10160719-B2 Pharmaceutical salts SLC5A1, SLC5A2, SLC35A1 OPRL1 2913/4885OPRM1 2283/4885OPRK1 1831/4885
US-20170137370-A1 PHARMACEUTICAL SALTS SLC5A1, SLC5A2, SLC35A1 OPRL1 2913/4885OPRM1 2283/4885OPRK1 1831/4885

“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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