SCHEMBL4492963

SCHEMBL4492963

CC(C)(C)c1ccc(-c2nc3c(N4CCNCC4)cccn3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.46
HTR3A P46098 1/20 0.46
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
PRKCI P41743 2/20 0.42
AHR P35869 1/20 0.41
GNRHR P30968 7/20 0.39
DHODH Q02127 1/20 0.38
ADRB1 P08588 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HTR7 P34969 2/20 0.36
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL4486322 0.77 GNRHR (0.60) HTR1AHTR3AHPGDKDM4EALDH1A1
SCHEMBL13709187 0.75 AHR (0.49) HPGDKDM4EMAPTALDH1A1GAA
SCHEMBL4499154 0.71 PRKCI (0.45) HTR1AHTR3AHPGDKDM4EMAPT
SCHEMBL4490072 0.70 AHR (0.44) HPGDKDM4EMAPTALDH1A1GAA
SCHEMBL13324655 0.68 HDAC6 (0.50) HTR1AHTR3APRKCIGNRHR
SCHEMBL3274724 0.68 GNRHR (0.70) GNRHR
SCHEMBL4476578 0.67 TNF (0.49) HTR1AHTR3APRKCIGNRHRHRH4
SCHEMBL4480141 0.67 PRKCI (0.49) HTR1AHTR3APRKCIGNRHRADRB1
SCHEMBL4477075 0.67 HTR1A (0.46) HTR1AHTR3APRKCIGNRHRRAB9A
SCHEMBL4465207 0.67 HTR1A (0.46) HTR1AHTR3AHPGDKDM4EMAPT

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 HTR1A 930/4885HTR3A 433/4885HPGD 2216/4885

“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.