SCHEMBL4480141

SCHEMBL4480141

CC(C)(C)c1ccc(-c2nc3cccc(N4CCNCC4)c3s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.49
TNF P01375 1/20 0.49
NOD1 Q9Y239 1/20 0.49
HTR1A P08908 2/20 0.46
HTR3A P46098 2/20 0.46
GNRHR P30968 9/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TACR2 P21452 1/20 0.39
HRH2 P25021 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ADRB1 P08588 2/20 0.38
NCF1 P14598 2/20 0.38
ADRB2 P07550 1/20 0.38
APP P05067 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38

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
SCHEMBL4476578 0.81 TNF (0.49) PRKCITNFNOD1HTR1AHTR3A
SCHEMBL4472122 0.78 GNRHR (0.63) TNFNOD1HTR1AGNRHRTACR2
SCHEMBL4460649 0.77 GNRHR (0.66) TNFNOD1GNRHRTACR2HRH2
SCHEMBL4464768 0.77 GNRHR (0.66) GNRHRCYP2D6
SCHEMBL4478149 0.76 GNRHR (0.67) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL13324655 0.75 HDAC6 (0.50) PRKCIHTR1AHTR3AGNRHRTACR2
SCHEMBL4461702 0.75 GNRHR (0.37) TNFNOD1GNRHRTACR2HRH2
SCHEMBL4469701 0.75 GNRHR (0.51) GNRHRTACR2HRH2OPRM1OPRD1
SCHEMBL4465207 0.74 HTR1A (0.46) PRKCIHTR1AHTR3AGNRHRHRH4
SCHEMBL4463824 0.74 GNRHR (0.68) GNRHRHTR2A

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-7531542-B2 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-12 US disclosed
US-7531542-B2 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-12 US disclosed
US-7531542-B2 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-12 US disclosed
US-20060264631-A1 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2006-11-23 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-20060264631-A1 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor GNRHR, GHRHR, LHCGR PRKCI 4785/4885TNF 1341/4885NOD1 2950/4885

“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.