SCHEMBL4466575

SCHEMBL4466575

Cc1cc(C)c2c(C#N)c(/C=C/C(=O)NC3CCOCC3)n(C(c3ccc(F)cc3)c3ccc(F)cc3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.35
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
ABL1 P00519 1/20 0.34
HTR1D P28221 1/20 0.32
KCNQ2 O43526 1/20 0.32
CYP3A4 P08684 1/20 0.32
CCR3 P51677 1/20 0.32
NTRK1 P04629 1/20 0.32
FASN P49327 3/20 0.31
KDM4D Q6B0I6 1/20 0.31
TSHR P16473 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
SCHEMBL4466579 1.00 GABRA5 (0.35) GABRA5DRD2DRD3ALDH1A1GLA
SCHEMBL6218996 0.92 SMN1; SMN2 (0.37) GABRA5ALDH1A1GLAKCNQ2CYP3A4
SCHEMBL6218994 0.92 SMN1; SMN2 (0.37) GABRA5ALDH1A1GLAKCNQ2CYP3A4
SCHEMBL4481077 0.90 MAPK1 (0.33) DRD2DRD3
SCHEMBL4481084 0.90 MAPK1 (0.33) DRD2DRD3
SCHEMBL4494192 0.87 BACE1 (0.33) GABRA5ALDH1A1CCR3
SCHEMBL4494197 0.87 BACE1 (0.33) GABRA5ALDH1A1CCR3
SCHEMBL4470470 0.84 RAB9A (0.39) ALDH1A1
SCHEMBL4470471 0.84 RAB9A (0.39) ALDH1A1
SCHEMBL4491288 0.83 POLB (0.38) ALDH1A1CYP3A4

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 GABRA5 464/4885DRD2 73/4885DRD3 143/4885

“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.