SCHEMBL13640964

SCHEMBL13640964

CCOC(=O)NC1CCCCC(N2CCC3(CC2)C(=O)Nc2ccccc23)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.48
OPRL1 P41146 3/20 0.48
OPRK1 P41145 1/20 0.48
HTR1A P08908 3/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
DRD2 P14416 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
KCNH2 Q12809 1/20 0.40
GRIN2B Q13224 1/20 0.40
CALCRL Q16602 1/20 0.40
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
BACE1 P56817 1/20 0.39
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL13640812 0.90 OPRL1 (0.46) OPRM1OPRL1OPRK1HTR1ALMNA
SCHEMBL13640751 0.87 OPRL1 (0.46) OPRM1OPRL1OPRK1HTR1ADRD2
SCHEMBL13640794 0.87 OPRL1 (0.47) OPRM1OPRL1OPRK1HTR1AALDH1A1
SCHEMBL13640883 0.86 OPRL1 (0.47) OPRM1OPRL1OPRK1HTR1AALDH1A1
SCHEMBL29709310 0.86 MAPK14 (0.46) OPRM1OPRL1OPRK1HTR1ADRD2
SCHEMBL20066071 0.86 MAPK14 (0.46) OPRM1OPRL1OPRK1HTR1ADRD2
SCHEMBL13640752 0.83 MAPT (0.41) OPRL1OPRK1LMNAMAPTDRD2
SCHEMBL13640962 0.83 BACE1 (0.45) OPRM1OPRL1OPRK1HTR1ACALCRL
SCHEMBL13640863 0.83 OPRL1 (0.51) OPRM1OPRL1OPRK1LMNAMAPT
SCHEMBL20073879 0.82 CHRM1 (0.45) OPRM1OPRL1OPRK1HTR1ADRD2

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 OPRM1 177/4885OPRL1 108/4885OPRK1 159/4885

“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.