SCHEMBL18623622

SCHEMBL18623622

Cc1ccc2c(c1)[C@@]1(C)CCN(C)[C@H](C2)[C@H]1N

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.56
▸ OPRM1 P35372 6/20 0.56
▸ OPRD1 P41143 5/20 0.56
▸ OPRK1 P41145 5/20 0.56
▸ MRGPRX2 Q96LB1 2/20 0.56
▸ SLC6A2 P23975 1/20 0.53
▸ GRIN1 Q05586 1/20 0.53
▸ GRIN2A Q12879 1/20 0.53

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
SCHEMBL18623620 1.00 SIGMAR1 (0.56) SIGMAR1OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL12324824 0.87 SIGMAR1 (0.73) SIGMAR1OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL12267534 0.87 SIGMAR1 (0.73) SIGMAR1OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL12716235 0.87 SIGMAR1 (0.73) SIGMAR1OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL15706497 0.84 SIGMAR1 (0.58) SIGMAR1OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL15706493 0.83 SIGMAR1 (0.53) SIGMAR1OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL18604354 0.83 SIGMAR1 (0.56) SIGMAR1OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL17252062 0.83 SIGMAR1 (0.56) SIGMAR1OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL15706422 0.83 SIGMAR1 (0.56) SIGMAR1OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL17252063 0.83 SIGMAR1 (0.56) SIGMAR1OPRM1OPRD1OPRK1MRGPRX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975854-B2 Benzomorphan analogs and use thereof PURDUE PHARMA L.P. (US) 2018-05-22 — — US disclosed
US-20170073313-A1 BENZOMORPHAN ANALOGS And Use Thereof PURDUE PHARMA L.P. 2017-03-16 — — 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-20170073313-A1 BENZOMORPHAN ANALOGS And Use Thereof OPRL1, OPRD1, OPRK1 SIGMAR1 7/4885OPRM1 4/4885OPRD1 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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