SCHEMBL4495184

SCHEMBL4495184

CCC(c1nc[nH]c1C)N1CCN(c2cccn3cc(-c4ccc(C(C)(C)C)cc4)nc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 9/20 0.57
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
ALDH1A1 P00352 5/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 3/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
TP53 P04637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
GAA P10253 2/20 0.34
PKM P14618 1/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4464663 0.77 GNRHR (0.39) GNRHR
SCHEMBL4461702 0.77 GNRHR (0.37) GNRHR
SCHEMBL4486322 0.75 GNRHR (0.60) GNRHRDRD2DRD3ALDH1A1NPC1
SCHEMBL4485018 0.73 GNRHR (1.00) GNRHRDRD2DRD3KDM4E
SCHEMBL4495178 0.71 GNRHR (1.00) GNRHRDRD2DRD3
SCHEMBL4503002 0.69 GNRHR (1.00) GNRHRDRD2DRD3
SCHEMBL4503724 0.69 GNRHR (1.00) GNRHRDRD2DRD3
SCHEMBL4486311 0.68 GNRHR (1.00) GNRHRDRD2DRD3
SCHEMBL4499727 0.68 GNRHR (1.00) GNRHRDRD2DRD3
SCHEMBL4509482 0.67 GNRHR (0.55) GNRHRDRD2DRD3ALDH1A1KDM4E

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 claimed
US-20060270848-A1 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2006-11-30 US claimed
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 GNRHR 1/4885DRD2 927/4885DRD3 766/4885

“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.