SCHEMBL10164517

SCHEMBL10164517

Cc1ccc(-c2cc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cc(N3CCN(Cc4cccnc4)CC3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
KDM4E B2RXH2 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TRPA1 O75762 5/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.45
RAB9A P51151 1/20 0.45
FKBP1A P62942 1/20 0.44
GLA P06280 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL10164594 0.93 L3MBTL1 (0.53) TSHRL3MBTL1TRPA1MAPTATM
SCHEMBL893508 0.92 TSHR (0.59) TSHRKDM4ETRPA1ATM
SCHEMBL10164568 0.90 TSHR (0.49) TSHRKDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL10164574 0.88 TSHR (0.47) TSHRKDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL10164494 0.87 L3MBTL1 (0.55) TSHRL3MBTL1TRPA1MAPTATM
SCHEMBL10164495 0.87 L3MBTL1 (0.54) TSHRL3MBTL1TRPA1MAPTATM
SCHEMBL10164587 0.86 L3MBTL1 (0.49) TSHRL3MBTL1TRPA1MAPTATM
SCHEMBL10164634 0.86 TSHR (0.67) TSHRKDM4EL3MBTL1CYP3A4CYP2D6
SCHEMBL10164510 0.85 L3MBTL1 (0.57) TSHRL3MBTL1TRPA1MAPTATM
SCHEMBL894169 0.85 TRPA1 (0.51) TSHRTRPA1ATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 TSHR 2952/4885KDM4E 4514/4885L3MBTL1 3677/4885

“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.