SCHEMBL4499154

SCHEMBL4499154

CC(C)(C)c1ccc(-c2nc3cccc(N4CCNCC4)n3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.45
AHR P35869 1/20 0.39
HTR1A P08908 1/20 0.39
HTR3A P46098 1/20 0.39
HPGD P15428 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCB1 P08183 1/20 0.36
TP53 P04637 3/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 1/20 0.35
CSNK1E P49674 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL4492321 0.76 PRKCI (0.41) PRKCIHTR1AHTR3AHPGDHRH4
SCHEMBL4501488 0.76 GNRHR (0.55) HTR1ARAB9AMEN1KMT2ANPC1
SCHEMBL4498414 0.74 AHR (0.70) AHRHPGDRAB9ATP53MAOA
SCHEMBL3262865 0.72 NUDT1 (0.45) HTR1AHTR3AHRH4HRH3ABCB1
SCHEMBL4492963 0.71 HTR1A (0.46) PRKCIAHRHTR1AHTR3AHPGD
SCHEMBL4477075 0.66 HTR1A (0.46) PRKCIHTR1AHTR3ARAB9ANPC1
SCHEMBL4465207 0.66 HTR1A (0.46) PRKCIHTR1AHTR3AHPGDHRH4
SCHEMBL16927984 0.66 CETP (0.49) PRKCIHTR1AHTR3AHPGDHRH4
SCHEMBL4492507 0.66 CYP11B2 (0.44) AHRHPGDRAB9AMEN1KMT2A
SCHEMBL270283 0.65 ADRB1 (0.62) HTR1AHTR3AHPGDKDM4ETSHR

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-7582636-B2 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of Gonadotropin Releasing Hormone receptor WYETH (US) 2009-09-01 US disclosed
US-7582636-B2 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of Gonadotropin Releasing Hormone receptor WYETH (US) 2009-09-01 US disclosed
US-7582636-B2 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of Gonadotropin Releasing Hormone receptor WYETH (US) 2009-09-01 US disclosed
US-20060270848-A1 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2006-11-30 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-20060270848-A1 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of gonadotropin releasing hormone receptor GNRHR, PRLHR, FSHR PRKCI 3428/4885AHR 685/4885HTR1A 930/4885

“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.