SCHEMBL13640752

SCHEMBL13640752

CCOC(=O)NC1CCCCC(N2CCC3(CC2)CNc2ccccc23)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
KCNH2 Q12809 1/20 0.40
GRIN2B Q13224 1/20 0.40
POLB P06746 3/20 0.39
PKM P14618 1/20 0.39
DRD2 P14416 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
ALOX15 P16050 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CHRM1 P11229 3/20 0.37
AVPR1A P37288 1/20 0.37
OPRL1 P41146 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36

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
SCHEMBL13640792 0.89 POLB (0.37) MAPTLMNAKCNH2GRIN2BPOLB
SCHEMBL13641006 0.88 POLB (0.44) MAPTLMNAPOLBDRD2RECQL
SCHEMBL13640785 0.88 SETD2 (0.38) MAPTLMNAPOLBDRD2CHRM1
SCHEMBL13640964 0.83 OPRM1 (0.48) MAPTLMNAKCNH2GRIN2BPOLB
SCHEMBL13640829 0.83 SIGMAR1 (0.49) MAPTLMNAKCNH2GRIN2BDRD2
SCHEMBL13641004 0.83 AVPR1A (0.35) KCNH2AVPR1AOPRL1
SCHEMBL12084835 0.82 CHRM1 (0.45) MAPTLMNAKCNH2GRIN2BPOLB
SCHEMBL13640768 0.80 NOTUM (0.50) MAPTLMNAKCNH2GRIN2BPOLB
SCHEMBL12084201 0.80 CHRM1 (0.48) MAPTLMNAPOLBPKMKDM4E
SCHEMBL12084524 0.79 CHRM1 (0.50) LMNAKCNH2POLBALDH1A1GAA

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 MAPT 3023/4885LMNA 3656/4885KCNH2 499/4885

“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.