SCHEMBL4466951

SCHEMBL4466951

CC(C)c1cc(C(C)C)c2c(C#N)c(C=CC(=O)N3CCSCC3)n(C3CCc4ccccc43)c2n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.33
CCR2 P41597 1/20 0.32
TRPV1 Q8NER1 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL4466944 1.00 AADAT (0.33) AADATCCR2TRPV1LMNAMAPT
SCHEMBL4492010 0.92 RAB9A (0.35) AADATCCR2HPGD
SCHEMBL4492005 0.92 RAB9A (0.35) AADATCCR2HPGD
SCHEMBL4472509 0.89 CMA1 (0.33) AADAT
SCHEMBL4472516 0.89 CMA1 (0.33) AADAT
SCHEMBL4493286 0.88 POLB (0.35) LMNAHPGDHTT
SCHEMBL4493282 0.88 POLB (0.35) LMNAHPGDHTT
SCHEMBL4469943 0.83 AADAT (0.32) AADATHPGD
SCHEMBL4486655 0.83 CCR2 (0.33) CCR2TRPV1HPGDHTT
SCHEMBL4486658 0.83 CCR2 (0.33) CCR2TRPV1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582651-B2 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-01 US disclosed
US-20060167038-A1 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-27 US disclosed
EP-1535922-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 EP 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-20060167038-A1 Pyrrolopyridine derivative and use thereof OPRD1, TRPV1, OPRM1 AADAT 3527/4885CCR2 125/4885TRPV1 2/4885

“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.