SCHEMBL13640923

SCHEMBL13640923

CC(C1CCCC1)N1CCC2(CC1)CNc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
OPRM1 P35372 7/20 0.40
OPRL1 P41146 7/20 0.40
OPRK1 P41145 5/20 0.38
AVPR1A P37288 1/20 0.37
KCNH2 Q12809 1/20 0.35
HDAC1 Q13547 1/20 0.35
CCR5 P51681 1/20 0.35
OPRD1 P41143 2/20 0.34
SIGMAR1 Q99720 6/20 0.33
SLC18A3 Q16572 2/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
KDM1A O60341 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
SCHEMBL13640730 0.84 OPRM1 (0.43) OPRM1OPRL1OPRK1OPRD1
SCHEMBL13641007 0.84 OPRM1 (0.43) OPRM1OPRL1OPRK1OPRD1
SCHEMBL13640927 0.83 TNKS (0.37) TNKSTNKS2OPRM1OPRL1OPRK1
SCHEMBL13641059 0.83 OPRM1 (0.43) TNKSTNKS2OPRM1OPRL1OPRK1
SCHEMBL16997309 0.82 CYP2D6 (0.46) TNKSTNKS2OPRM1OPRL1OPRK1
SCHEMBL18923751 0.77 TNKS (0.41) TNKSTNKS2OPRM1OPRL1OPRK1
SCHEMBL13640931 0.76 OPRM1 (0.59) TNKSTNKS2OPRM1OPRL1OPRK1
SCHEMBL12084593 0.76 TNKS (0.44) TNKSTNKS2OPRM1OPRL1OPRK1
SCHEMBL13644096 0.75 TNKS (0.44) TNKSTNKS2OPRM1OPRL1OPRK1
SCHEMBL1670650 0.74 TNKS (0.46) TNKSTNKS2OPRM1OPRL1AVPR1A

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 3489/4885OPRM1 177/4885

“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.