SCHEMBL1739756

SCHEMBL1739756

O=c1[nH]c(=O)n(Cc2c(F)cccc2C(F)(F)F)nc1Br

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.42
ORAI1 Q96D31 1/20 0.42
RORC P51449 7/20 0.40
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37
GRIK5 Q16478 1/20 0.37
GNRHR P30968 5/20 0.37
KLKB1 P03952 3/20 0.35
CYP3A4 P08684 1/20 0.35
MDM2 Q00987 1/20 0.34
FABP4 P15090 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL6476952 0.88 GRIA1 (0.43) GRIA1GRIA2GRIA4GRIK5
SCHEMBL2703670 0.77 MEN1 (0.46) GNRHRCYP3A4
SCHEMBL1740707 0.75 ALDH1A1 (0.44) STIM1ORAI1GNRHRCYP3A4FABP4
SCHEMBL23595084 0.74 FABP4 (0.37) STIM1ORAI1RORCGNRHRCYP3A4
SCHEMBL23110398 0.72 HPGD (0.41) STIM1ORAI1GNRHRCYP3A4FABP4
SCHEMBL15563837 0.70 GRIA1 (0.49) GRIA1GRIA2GRIA4GRIK5CYP3A4
SCHEMBL15564152 0.70 DAO (0.57) GRIA1GRIA2GRIA4GRIK5
SCHEMBL1642571 0.70 HPGD (0.39) STIM1ORAI1GNRHRCYP3A4FABP4
SCHEMBL12648510 0.70 GNRHR (0.40) GNRHRCYP3A4FABP4
SCHEMBL16968246 0.69 DAO (0.56) GRIA1GRIA2GRIA4GRIK5TAAR1

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
EP-2390250-B1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, MANUFACTURING METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME SK CHEMICALS CO LTD (KR) 2015-08-12 EP disclosed
US-9034850-B2 Gonadotropin releasing hormone receptor antagonist, preparation method thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-05-19 US disclosed
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same SK CHEMICALS CO. LTD. (KR) 2013-05-30 US disclosed
EP-2390250-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, MANUFACTURING METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Sk Chemicals Co., Ltd. (KR) 2011-11-30 EP 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-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same GNRHR, GHRHR, LHCGR STIM1 4227/4885ORAI1 1268/4885RORC 592/4885

“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.