SCHEMBL5528436

SCHEMBL5528436

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(C(F)(F)F)c2)C(=O)c2ncc(F)c3cc[nH]c23)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.34
CDK8 P49336 2/20 0.34
KDM4A O75164 1/20 0.34
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
BTK Q06187 1/20 0.34
CYP3A4 P08684 1/20 0.34
CCR2 P41597 1/20 0.34
NR3C1 P04150 2/20 0.33
CYP2C9 P11712 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
THRB P10828 1/20 0.32
BRAF P15056 1/20 0.32
S1PR1 P21453 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL5535054 0.94 BTK (0.36) TRPM8BTKCYP3A4S1PR1P2RX7
SCHEMBL5528167 0.92 CENPE (0.34) TRPM8BTKTHRB
SCHEMBL5531743 0.87 SLC2A1 (0.38) CDK8S1PR1
SCHEMBL5531820 0.86 TP53 (0.41) BTK
SCHEMBL5526900 0.85 KDM4A (0.39) TRPM8CDK8KDM4AKDM5AKDM5B
SCHEMBL5526906 0.85 ESRRG (0.36) BTKS1PR1
SCHEMBL5533022 0.83 SLC6A9 (0.36) TRPM8
SCHEMBL5530082 0.83 ESRRG (0.33) TRPM8KDM4AKDM5BBTKTHRB
SCHEMBL5529673 0.82 CDK8 (0.35) TRPM8CDK8KDM4AKDM5AKDM5B
SCHEMBL5537737 0.82 GRM5 (0.35) TRPM8CDK8KDM4AKDM5AKDM5B

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-20070185154-A1 1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(4-fluoro-3-trifluoromethyl-phenyl)-ethyl]-amide; cardiovascular diseases such as atherosclerosis, peripheral vascular disease, dyslipidemia, hyperbetalipoproteinemia, hypoalphalipoproteinemia, hypercholesterolemia, hypertriglyceridemi HOFFMANN-LA ROCHE INC. 2007-08-09 US claimed
US-20070185154-A1 1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(4-fluoro-3-trifluoromethyl-phenyl)-ethyl]-amide; cardiovascular diseases such as atherosclerosis, peripheral vascular disease, dyslipidemia, hyperbetalipoproteinemia, hypoalphalipoproteinemia, hypercholesterolemia, hypertriglyceridemi HOFFMANN-LA ROCHE INC. 2007-08-09 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-20070185154-A1 1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(4-fluoro-3-trifluoromethyl-phenyl)-ethyl]-amide; cardiovascular diseases such as atherosclerosis, peripheral vascular disease, dyslipidemia, hyperbetalipoproteinemia, hypoalphalipoproteinemia, hypercholesterolemia, hypertriglyceridemi APOB, CETP, LIPC TRPM8 4627/4885CDK8 3809/4885KDM4A 3290/4885

“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.