SCHEMBL13640962

SCHEMBL13640962

O=C(NC1CCCCC(N2CCC3(CC2)C(=O)Nc2ccccc23)C1)O[C@H]1CCOC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.45
OPRL1 P41146 3/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
MAPK14 Q16539 1/20 0.37
CALCRL Q16602 1/20 0.37
HTR1A P08908 5/20 0.37
HTR2A P28223 4/20 0.37
HTR7 P34969 4/20 0.37
HTR6 P50406 4/20 0.37
SETD2 Q9BYW2 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
EPHX2 P34913 1/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34

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
SCHEMBL13640794 0.92 OPRL1 (0.47) BACE1OPRL1OPRM1OPRK1MAPK14
SCHEMBL13640883 0.91 OPRL1 (0.47) BACE1OPRL1OPRM1OPRK1MAPK14
SCHEMBL13641004 0.84 AVPR1A (0.35) BACE1OPRL1OPRM1SETD2HRH3
SCHEMBL13640964 0.83 OPRM1 (0.48) BACE1OPRL1OPRM1OPRK1CALCRL
SCHEMBL12084666 0.83 BACE1 (0.47) BACE1OPRL1OPRM1OPRK1CALCRL
SCHEMBL13640751 0.83 OPRL1 (0.46) BACE1OPRL1OPRM1OPRK1CALCRL
SCHEMBL12084694 0.83 BACE1 (0.47) BACE1OPRL1OPRM1OPRK1CALCRL
SCHEMBL13643891 0.81 BACE1 (0.42) BACE1OPRL1OPRM1OPRK1CALCRL
SCHEMBL13640812 0.81 OPRL1 (0.46) BACE1OPRL1OPRM1OPRK1CALCRL
SCHEMBL13641011 0.80 SIGMAR1 (0.47) OPRL1OPRM1HRH3

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 BACE1 3797/4885OPRL1 108/4885OPRM1 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.