SCHEMBL4480708

SCHEMBL4480708

CCc1cc(CC)c2c(C#N)cn(C3CCc4ccccc43)c2n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.35
KCNA3 P22001 1/20 0.34
AGTR1 P30556 5/20 0.33
PPARG P37231 5/20 0.33
P2RX7 Q99572 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CMA1 P23946 1/20 0.33
MAOB P27338 2/20 0.32
EED O75530 1/20 0.32
XIAP P98170 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
SCHEMBL4480923 0.79 P2RX7 (0.38) CYP11B2AGTR1PPARGP2RX7KDM4E
SCHEMBL4486440 0.77 AGTR1 (0.34) AGTR1PPARGKDM4ECMA1MAOB
SCHEMBL4469849 0.76 P2RX7 (0.33) CYP11B2KCNA3P2RX7KDM4EALDH1A1
SCHEMBL4492080 0.73 CYP11B2 (0.36) CYP11B2P2RX7KDM4EALDH1A1GAA
SCHEMBL4484398 0.73 CYP11B2 (0.36) CYP11B2P2RX7KDM4EALDH1A1GAA
SCHEMBL4485481 0.73 CYP11B2 (0.36) CYP11B2P2RX7KDM4EALDH1A1GAA
SCHEMBL4478622 0.73 ALDH1A1 (0.41) CYP11B2KCNA3P2RX7KDM4EALDH1A1
SCHEMBL4470424 0.73 CMA1 (0.35) AGTR1PPARGCMA1
SCHEMBL4470416 0.73 CMA1 (0.35) AGTR1PPARGCMA1
SCHEMBL4486655 0.69 CCR2 (0.33) AGTR1PPARGCMA1

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 CYP11B2 797/4885KCNA3 84/4885AGTR1 227/4885

“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.