SCHEMBL4509482

SCHEMBL4509482

CC(C)(C)c1ccc(-c2cn3cccc(N4CCN(C(=O)OCc5ccccc5)CC4)c3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 6/20 0.55
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GRIN2B Q13224 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTR2A P28223 1/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
DHODH Q02127 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ENPP2 Q13822 1/20 0.40
P2RY12 Q9H244 1/20 0.40
ALDH1A2 O94788 1/20 0.39

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
SCHEMBL4475090 0.72 GNRHR (0.53) GNRHRHTR2A
SCHEMBL4503002 0.71 GNRHR (1.00) GNRHRDRD2DRD3
SCHEMBL4499727 0.69 GNRHR (1.00) GNRHRHTR2ADRD2DRD3
SCHEMBL4503724 0.69 GNRHR (1.00) GNRHRHTR2ADRD2DRD3
SCHEMBL5362589 0.68 SMN1; SMN2 (0.72) MEN1KMT2AALDH1A1TMEM97SIGMAR1
SCHEMBL19212301 0.68 L3MBTL1 (0.60) MEN1KMT2AALDH1A1DRD2DRD3
SCHEMBL1842426 0.68 MEN1 (0.61) MEN1KMT2AKDM4ESMN1; SMN2NPSR1
SCHEMBL12061638 0.68 TGM2 (0.63) MEN1KMT2APOLBSMN1; SMN2
SCHEMBL3970912 0.68 MEN1 (0.76) MEN1KMT2AALDH1A1GRIN2BTSHR
SCHEMBL4814264 0.68 MEN1 (0.76) MEN1KMT2AALDH1A1GRIN2BTSHR

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 GNRHR 1/4885MEN1 3337/4885KMT2A 1264/4885

“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.