SCHEMBL10241349

SCHEMBL10241349

Cc1ccc(-n2c(C)nnc2N2CCC(C#N)(c3ccccc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.47
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
OPRD1 P41143 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ADRA1B P35368 1/20 0.40
MLYCD O95822 1/20 0.39
SCD O00767 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
OPRL1 P41146 2/20 0.37
ALDH1A1 P00352 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
SCHEMBL314945 0.91 OPRM1 (0.47) OPRM1OPRD1CA12CA1CA2
SCHEMBL3604273 0.72 OPRM1 (0.59) OPRM1OPRD1CA12CA1CA2
SCHEMBL315782 0.69 CNR1 (0.54) OPRM1ADRA1DADRA1AOPRD1ADRA1B
SCHEMBL6298824 0.69 OPRM1 (0.55) OPRM1ADRA1DADRA1AOPRD1CA12
SCHEMBL504355 0.68 OPRM1 (0.70) OPRM1OPRD1CA12CA1CA2
SCHEMBL9073266 0.67 ADRB1 (0.53) OXTRAVPR1AALDH1A1
SCHEMBL1310091 0.67 KMT2A (0.67) OPRM1CA12CA1CA2CA9
SCHEMBL15963271 0.66 OPRM1 (0.59) OPRM1OPRD1CA12CA1CA2
Hydrochloric Acid SCHEMBL3595890 0.66 OPRM1 (0.73) OPRM1OPRD1
SCHEMBL8350406 0.66 OPRM1 (0.81) OPRM1ADRA1DADRA1AOPRD1ADRA1B

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-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 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-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 OPRM1 60/4885ADRA1D 108/4885ADRA1A 50/4885

“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.