SCHEMBL13640792

SCHEMBL13640792

CCOC(=O)NC1CCCCC(N2CCC3(CC2)CNc2ccc(C)cc23)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SETD2 Q9BYW2 4/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
DRD2 P14416 2/20 0.35
NSD2 O96028 1/20 0.35
CYP2C8 P10632 1/20 0.35
HTR1B P28222 1/20 0.35
EGFR P00533 1/20 0.35
LCK P06239 1/20 0.35
JAK3 P52333 1/20 0.35
BTK Q06187 1/20 0.35
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KCNH2 Q12809 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
SCHEMBL13640785 0.91 SETD2 (0.38) POLBLMNAMAPTSETD2OPRM1
SCHEMBL13641006 0.91 POLB (0.44) POLBLMNAMAPTSETD2DRD2
SCHEMBL13640752 0.89 MAPT (0.41) POLBLMNAMAPTOPRL1DRD2
SCHEMBL13640822 0.87 OPRM1 (0.39) OPRM1OPRL1DRD2SMN1; SMN2KCNH2
SCHEMBL23798578 0.84 CHRM1 (0.40) OPRM1OPRL1KCNH2
SCHEMBL13640861 0.82 DRD2 (0.35) SETD2OPRM1OPRL1DRD2NSD2
SCHEMBL13640797 0.82 SETD2 (0.37) SETD2OPRM1OPRL1DRD2NSD2
SCHEMBL13640704 0.81 NOTUM (0.40) POLBLMNAMAPTSETD2DRD2
SCHEMBL12084606 0.81 CHRM1 (0.42) POLBOPRM1OPRL1GAAALOX12
SCHEMBL13644016 0.79 ALDH1A1 (0.35) POLBLMNAMAPTOPRM1OPRL1

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 POLB 4708/4885LMNA 3656/4885MAPT 3023/4885

“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.