SCHEMBL10031232

SCHEMBL10031232

CC(C)=CCN1CCC2(C)c3cc(C(C)C)ccc3CC1C2C

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 11/20 0.75
▸ OPRM1 P35372 6/20 0.75
▸ TMEM97 Q5BJF2 4/20 0.75
▸ OPRD1 P41143 4/20 0.75
▸ OPRK1 P41145 4/20 0.75
▸ EBP Q15125 1/20 0.75
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ TSHR P16473 1/20 0.58

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
(+)-Pentazocine SCHEMBL18672553 0.86 SIGMAR1 (1.00) SIGMAR1OPRM1TMEM97OPRD1OPRK1
(+)-Pentazocine SCHEMBL680675 0.86 SIGMAR1 (1.00) SIGMAR1OPRM1TMEM97OPRD1OPRK1
(+)-Pentazocine SCHEMBL4376337 0.86 SIGMAR1 (1.00) SIGMAR1OPRM1TMEM97OPRD1OPRK1
Pentazocine SCHEMBL2493 0.86 SIGMAR1 (1.00) SIGMAR1OPRM1TMEM97OPRD1OPRK1
(+)-Pentazocine SCHEMBL16220021 0.86 SIGMAR1 (1.00) SIGMAR1OPRM1TMEM97OPRD1OPRK1
(+)-Pentazocine SCHEMBL2492 0.86 SIGMAR1 (1.00) SIGMAR1OPRM1TMEM97OPRD1OPRK1
(+)-Pentazocine SCHEMBL16144643 0.86 SIGMAR1 (1.00) SIGMAR1OPRM1TMEM97OPRD1OPRK1
Rel-Pentazocine SCHEMBL135685 0.86 SIGMAR1 (1.00) SIGMAR1OPRM1TMEM97OPRD1OPRK1
(+)-Pentazocine SCHEMBL22865258 0.86 SIGMAR1 (1.00) SIGMAR1OPRM1TMEM97OPRD1OPRK1
(+)-Pentazocine SCHEMBL16866230 0.86 SIGMAR1 (1.00) SIGMAR1OPRM1TMEM97OPRD1OPRK1

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-20120046272-A1 Novel Therapeutic Compounds GRUNENTHAL GMBH (DE) 2012-02-23 — — US disclosed
US-20120046272-A1 Novel Therapeutic Compounds GRUNENTHAL GMBH (DE) 2012-02-23 — — 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-20120046272-A1 Novel Therapeutic Compounds OPRL1, OPRK1, OPRM1 SIGMAR1 8/4885OPRM1 3/4885TMEM97 518/4885

“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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