SCHEMBL9108928

SCHEMBL9108928

COCC(=O)N[C@H]1CC[C@H](NC(=O)c2c(C)[nH]c3c(-c4cc(C)ccc4OCC4CC4)ccnc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM2B Q8NHM5 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
HTT P42858 1/20 0.36
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
DRD2 P14416 3/20 0.35
HTR2A P28223 3/20 0.35
DRD3 P35462 3/20 0.35
KDM4E B2RXH2 1/20 0.35
SMO Q99835 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
CCNT1 O60563 3/20 0.33
CDK9 P50750 3/20 0.33
RIPK2 O43353 1/20 0.33

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
SCHEMBL9101881 1.00 HPGD (0.41) HPGDLMNANPC1RAB9AKDM2B
SCHEMBL9101876 1.00 HPGD (0.41) HPGDLMNANPC1RAB9AKDM2B
SCHEMBL9101670 0.92 KDM4E (0.39) HPGDNPC1RAB9APRKACAPRKACG
SCHEMBL9101665 0.92 KDM4E (0.39) HPGDNPC1RAB9APRKACAPRKACG
SCHEMBL9105766 0.92 CDK9 (0.42) CCNT1CDK9
SCHEMBL9109055 0.92 CDK9 (0.42) CCNT1CDK9
SCHEMBL9105756 0.92 CDK9 (0.42) CCNT1CDK9
SCHEMBL9106138 0.92 KDM4E (0.39) HPGDNPC1RAB9APRKACAPRKACG
SCHEMBL9107809 0.92 KDM2B (0.39) HPGDLMNANPC1RAB9AKDM2B
SCHEMBL9106270 0.92 KDM2B (0.39) HPGDLMNANPC1RAB9AKDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 US claimed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 US claimed
US-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 US disclosed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 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-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A HPGD 934/4885LMNA 3122/4885NPC1 4782/4885

“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.