SCHEMBL4465207

SCHEMBL4465207

CC(C)(C)c1ccc(-c2nc3cccc(N4CCNCC4)c3o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.46
HTR3A P46098 2/20 0.46
PRKCI P41743 2/20 0.42
NCF1 P14598 2/20 0.41
HTR6 P50406 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
MTOR P42345 1/20 0.41
HTR5A P47898 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL10633864 0.85 HTR6 (0.50) HTR1AHTR3ANCF1HTR6HTR3E
SCHEMBL4477075 0.81 HTR1A (0.46) HTR1AHTR3APRKCIHTR6HTR2A
SCHEMBL4467022 0.76 GNRHR (0.65) CYP2D6KDM4EGNRHR
SCHEMBL4472299 0.75 GNRHR (0.64) HTR1AGNRHR
SCHEMBL13324655 0.75 HDAC6 (0.50) HTR1AHTR3APRKCIGNRHR
SCHEMBL4480141 0.74 PRKCI (0.49) HTR1AHTR3APRKCINCF1HTR6
SCHEMBL10236256 0.73 NPC1 (0.48) ADRB2NPC1RAB9AGFERKDM4E
SCHEMBL4478166 0.72 GNRHR (0.49) GNRHR
SCHEMBL4460831 0.71 GNRHR (0.46) GNRHR
SCHEMBL3274724 0.71 GNRHR (0.70) GNRHR

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 HTR1A 854/4885HTR3A 848/4885PRKCI 4785/4885

“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.