SCHEMBL13640814

SCHEMBL13640814

C[C@@H](CN1CCC2(CCc3ccccc32)CC1)[C@H]1C=CCC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.51
SLC18A3 Q16572 2/20 0.50
OPRM1 P35372 1/20 0.49
OPRL1 P41146 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL13640989 1.00 SIGMAR1 (0.51) SIGMAR1SLC18A3OPRM1OPRL1ALDH1A1
SCHEMBL13644021 0.87 SIGMAR1 (0.51) SIGMAR1SLC18A3OPRM1OPRL1ALDH1A1
SCHEMBL13640979 0.79 HRH3 (0.47) SIGMAR1SLC18A3OPRM1ALDH1A1CYP2D6
SCHEMBL13640762 0.76 OPRM1 (0.53) OPRM1OPRL1
SCHEMBL13640884 0.74 MCHR2 (0.51) SIGMAR1SLC18A3ALDH1A1
SCHEMBL13641051 0.74 HDAC1 (0.44) SIGMAR1SLC18A3
SCHEMBL13640906 0.74 MCHR2 (0.51) SIGMAR1SLC18A3ALDH1A1
SCHEMBL13640885 0.74 MCHR2 (0.51) SIGMAR1SLC18A3ALDH1A1
SCHEMBL14467579 0.74 SIGMAR1 (0.56) SIGMAR1OPRM1OPRL1ALDH1A1TP53
SCHEMBL13643889 0.74 SIGMAR1 (0.56) SIGMAR1OPRM1OPRL1ALDH1A1TP53

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 SIGMAR1 253/4885SLC18A3 319/4885OPRM1 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.