SCHEMBL5527675

SCHEMBL5527675

Cc1cc2cc[nH]c2c(C(=O)N(CCc2ccccc2)Cc2ccc(C(C)(C)C)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.44
GRM5 P41594 5/20 0.42
RCE1 Q9Y256 1/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NR1H4 Q96RI1 1/20 0.39
LPAR1 Q92633 4/20 0.38
LPAR5 Q9H1C0 4/20 0.38
ESRRG P62508 1/20 0.38
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL5536102 0.93 GRM5 (0.40) PIN1GRM5RCE1MAPTKMT2A
SCHEMBL5522276 0.92 MAPT (0.41) PIN1GRM5MAPTKMT2AMEN1
SCHEMBL5524589 0.89 GRM5 (0.40) PIN1GRM5KMT2A
SCHEMBL5530770 0.88 GRM5 (0.38) PIN1GRM5MAPTKMT2AMEN1
SCHEMBL3272609 0.87 GRM5 (0.41) GRM5
SCHEMBL5522295 0.86 GRM5 (0.38) PIN1GRM5MAPTLPAR1LPAR5
SCHEMBL5527039 0.86 GRM5 (0.38) GRM5MAPTLPAR1LPAR5
SCHEMBL5528458 0.86 GRM5 (0.38) PIN1GRM5MAPTLPAR1LPAR5
SCHEMBL5531707 0.86 GRM5 (0.36) PIN1GRM5MAPTNR1H4ESRRG
SCHEMBL5531740 0.86 PIN1 (0.45) PIN1GRM5RCE1MAPTKMT2A

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 PIN1 2667/4885GRM5 4093/4885RCE1 2974/4885

“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.