SCHEMBL13640936

SCHEMBL13640936

CC1C=CCC(CN2CCC3(CC2)CNc2ccc(Cl)cc23)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.35
AVPR1A P37288 1/20 0.34
LMNA P02545 1/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL13640748 0.88 OPRM1 (0.36) TNKSTNKS2OPRM1OPRL1
SCHEMBL12899137 0.81 CCR5 (0.32) CCR5AVPR1ALMNATNKSTNKS2
SCHEMBL12084275 0.79 OPRM1 (0.52) OPRM1OPRL1
SCHEMBL12084853 0.79 AVPR1A (0.33) CCR5AVPR1ATNKSTNKS2MEN1
SCHEMBL13640944 0.79 MAP3K14 (0.34) LMNAOPRM1OPRL1
SCHEMBL12084489 0.75 KDM4E (0.46) AVPR1AMEN1KMT2A
SCHEMBL13643962 0.74 CCR5 (0.33) CCR5AVPR1ALMNATNKSTNKS2
SCHEMBL12292610 0.73 OPRM1 (0.36) CCR5AVPR1ATNKSTNKS2OPRM1
SCHEMBL13212943 0.72 AVPR1A (0.43) CCR5AVPR1ALMNATNKSTNKS2
SCHEMBL13000366 0.71 OPRM1 (0.42) OPRM1OPRL1

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-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 US disclosed
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 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-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 CCR5 293/4885AVPR1A 238/4885LMNA 3656/4885

“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.