SCHEMBL10243635

SCHEMBL10243635

CCC(C#N)(CCN(C)C)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.63
DRD3 P35462 3/20 0.63
DRD2 P14416 2/20 0.63
CYP2D6 P10635 2/20 0.63
DRD4 P21917 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.49
EBP Q15125 3/20 0.48
SIGMAR1 Q99720 3/20 0.48
CYP3A4 P08684 1/20 0.44
CCR1 P32246 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
BCL2 P10415 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL11646224 0.90 SIGMAR1 (0.55) OPRM1DRD3DRD2CYP2D6DRD4
SCHEMBL11650019 0.85 SIGMAR1 (0.46) OPRM1DRD3DRD2CYP2D6DRD4
SCHEMBL13271382 0.82 CYP2D6 (0.44) OPRM1DRD3DRD2CYP2D6DRD4
SCHEMBL9325508 0.81 OPRM1 (0.56) OPRM1DRD3DRD2CYP2D6DRD4
Hydrochloric Acid SCHEMBL10926134 0.81 OPRM1 (0.56) OPRM1DRD3DRD2CYP2D6DRD4
SCHEMBL11530730 0.81 CYP2D6 (0.56) OPRM1DRD3DRD2CYP2D6DRD4
Hydrochloric Acid SCHEMBL9571830 0.80 OPRM1 (0.55) OPRM1DRD3DRD2CYP2D6DRD4
SCHEMBL10925326 0.80 TAAR1 (0.53) OPRM1DRD3DRD2CYP2D6DRD4
SCHEMBL11646369 0.80 SIGMAR1 (0.64) OPRM1DRD3DRD2CYP2D6DRD4
SCHEMBL11630708 0.79 CCR1 (0.45) OPRM1DRD3DRD2CYP2D6DRD4

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 60/4885DRD3 715/4885DRD2 661/4885

“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.