SCHEMBL803218

SCHEMBL803218

CCN(C(=O)c1cc(F)ccc1Cl)[C@@H]1CCc2ccc(C(=O)OC)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
MDM4 O15151 1/20 0.36
MDM2 Q00987 1/20 0.36
PIN1 Q13526 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ADORA2A P29274 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MAPK14 Q16539 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 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
SCHEMBL803201 0.93 SLC6A2 (0.41) TSHRCYP1A2CYP2C19SMN1; SMN2TRPM8
SCHEMBL883738 0.90 TSHR (0.40) TSHRCYP1A2CYP2C19SMN1; SMN2SLC6A2
SCHEMBL784506 0.89 TRPM8 (0.41) SMN1; SMN2TRPM8SLC6A2SLC6A4SLC6A3
SCHEMBL784507 0.89 TRPM8 (0.41) SMN1; SMN2TRPM8SLC6A2SLC6A4SLC6A3
SCHEMBL803553 0.88 TRPM8 (0.39) TSHRCYP1A2CYP2C19SMN1; SMN2TRPM8
SCHEMBL803508 0.87 WDR5 (0.41) TSHRCYP1A2CYP2C19SMN1; SMN2TRPM8
SCHEMBL803577 0.85 TRPM8 (0.43) TSHRCYP1A2CYP2C19SMN1; SMN2TRPM8
SCHEMBL803734 0.84 SLC6A2 (0.41) TSHRCYP1A2CYP2C19SMN1; SMN2SLC6A2
SCHEMBL803509 0.82 RORC (0.39) TSHRCYP1A2CYP2C19SMN1; SMN2SLC6A2
SCHEMBL786012 0.82 SLC6A2 (0.43) TRPM8SLC6A2SLC6A4SLC6A3MDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 TSHR 586/4885CYP1A2 1988/4885CYP2C19 1477/4885

“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.