SCHEMBL4495178

SCHEMBL4495178

CCn1cnc(CN2CCN(c3cccn4cc(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 16/20 1.00
DRD2 P14416 4/20 0.44
DRD3 P35462 4/20 0.44
HTR2A P28223 1/20 0.41

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
SCHEMBL4485018 0.81 GNRHR (1.00) GNRHRDRD2DRD3
SCHEMBL4499727 0.79 GNRHR (1.00) GNRHRDRD2DRD3HTR2A
SCHEMBL4503002 0.77 GNRHR (1.00) GNRHRDRD2DRD3
SCHEMBL4486311 0.77 GNRHR (1.00) GNRHRDRD2DRD3
SCHEMBL4461694 0.77 GNRHR (0.64) GNRHRHTR2A
SCHEMBL3274795 0.76 GNRHR (1.00) GNRHRHTR2A
SCHEMBL4464659 0.76 GNRHR (0.68) GNRHRHTR2A
SCHEMBL4486322 0.74 GNRHR (0.60) GNRHRDRD2DRD3
SCHEMBL4503724 0.73 GNRHR (1.00) GNRHRDRD2DRD3HTR2A
SCHEMBL4495184 0.71 GNRHR (0.57) GNRHRDRD2DRD3

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 6 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-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 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.