SCHEMBL13640927

SCHEMBL13640927

CC(C1CCCC1)N1CCC2(CC1)CNc1ccc(Cl)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
AVPR1A P37288 1/20 0.37
OPRM1 P35372 4/20 0.36
OPRL1 P41146 4/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
CCR5 P51681 1/20 0.33
CHRM1 P11229 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LRRK2 Q5S007 1/20 0.32
PDE7A Q13946 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL13640730 0.87 OPRM1 (0.43) OPRM1OPRL1GRIN1GRIN2ALRRK2
SCHEMBL13641007 0.87 OPRM1 (0.43) OPRM1OPRL1GRIN1GRIN2ALRRK2
SCHEMBL13641059 0.86 OPRM1 (0.43) TNKSTNKS2OPRM1OPRL1LRRK2
SCHEMBL13640923 0.83 TNKS (0.41) TNKSTNKS2AVPR1AOPRM1OPRL1
SCHEMBL12084505 0.78 DRD2 (0.43) TNKSTNKS2AVPR1AOPRM1OPRL1
SCHEMBL12084270 0.78 DRD2 (0.43) TNKSTNKS2AVPR1AOPRM1OPRL1
SCHEMBL13643918 0.78 TNKS (0.39) TNKSTNKS2AVPR1AOPRM1OPRL1
SCHEMBL13212943 0.77 AVPR1A (0.43) TNKSTNKS2AVPR1AOPRM1OPRL1
SCHEMBL13640759 0.77 IDO1 (0.40) AVPR1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13640839 0.76 MAP3K14 (0.38) KMT2AGRIN2DGRIN3BGRIN1GRIN2A

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 TNKS 3506/4885TNKS2 3489/4885AVPR1A 238/4885

“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.