SCHEMBL1106550

SCHEMBL1106550

O=Cc1ccc(NC(=O)CCN2CCc3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 10/20 0.67
CHRM4 P08173 9/20 0.67
CHRM1 P11229 9/20 0.67
CHRM3 P20309 7/20 0.67
MAPT P10636 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 2/20 0.56
POLB P06746 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HSD17B10 Q99714 1/20 0.52
ALOX15 P16050 2/20 0.50
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
USP2 O75604 2/20 0.49
CDK4 P11802 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
SCHEMBL21466987 0.87 CHRM2 (0.85) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL10201439 0.84 CYP1A2 (0.48) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL28638610 0.80 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL29930240 0.80 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL28638613 0.79 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL29930511 0.79 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL1520072 0.78 MEN1 (0.70) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL28003949 0.74 MEN1 (0.79) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL9250671 0.74 ALDH1A1 (0.68) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL19149082 0.74 MEN1 (0.63) CHRM2CHRM4CHRM1CHRM3MAPT

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-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 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-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 CHRM2 1093/4885CHRM4 1075/4885CHRM1 1682/4885

“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.