SCHEMBL4492005

SCHEMBL4492005

CC(C)c1cc(C(C)C)c2c(C#N)c(/C=C/C(=O)N3CCOCC3)n(C3CCc4ccccc43)c2n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
CCNC P24863 2/20 0.34
CDK8 P49336 2/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CCR2 P41597 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
AADAT Q8N5Z0 1/20 0.31
S1PR1 P21453 3/20 0.31
P4HB P07237 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 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
SCHEMBL4492010 1.00 RAB9A (0.35) RAB9ANPC1CCNCCDK8KDM4E
SCHEMBL4466951 0.92 AADAT (0.33) HPGDCCR2AADAT
SCHEMBL4466944 0.92 AADAT (0.33) HPGDCCR2AADAT
SCHEMBL4493282 0.89 POLB (0.35) KDM4EHPGDKMT2APOLBALDH1A1
SCHEMBL4493286 0.89 POLB (0.35) KDM4EHPGDKMT2APOLBALDH1A1
SCHEMBL4472516 0.88 CMA1 (0.33) ESR1AADAT
SCHEMBL4472509 0.88 CMA1 (0.33) ESR1AADAT
SCHEMBL4487963 0.86 GHSR (0.31) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4487972 0.86 GHSR (0.31) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6220915 0.85 RAB9A (0.36) RAB9ANPC1CCNCCDK8KDM4E

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 RAB9A 3079/4885NPC1 4441/4885CCNC 2743/4885

“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.