Sugi Predict

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SCHEMBL1095168

SCHEMBL1095168

CC1CN(C(=O)C(F)(F)F)CCc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 6/20 0.52
▸ ESR2 Q92731 5/20 0.52
▸ XIAP P98170 1/20 0.43
▸ BIRC2 Q13490 1/20 0.43
▸ ABHD6 Q9BV23 2/20 0.41
▸ EPHX2 P34913 3/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ PPARD Q03181 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ ABCB1 P08183 1/20 0.39
▸ HSD11B1 P28845 1/20 0.38
▸ ACACB O00763 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
SCHEMBL4937667 0.91 ESR1 (0.65) ESR1ESR2ABHD6NOTUMHSD11B1
SCHEMBL1095538 0.91 ESR1 (0.65) ESR1ESR2ABHD6NOTUMHSD11B1
SCHEMBL4932882 0.84 ESR2 (0.60) ESR1ESR2ABHD6
SCHEMBL15290710 0.84 ESR1 (0.44) ESR1ESR2ABHD6NOTUM
SCHEMBL1095297 0.84 ESR2 (0.60) ESR1ESR2ABHD6
SCHEMBL4937824 0.83 GRIN1 (0.52) —
SCHEMBL14282038 0.80 ABHD6 (0.55) ESR1ESR2ABHD6NOTUM
SCHEMBL23745324 0.78 ESR1 (0.45) ESR1ESR2ABHD6
SCHEMBL31121185 0.78 ESR1 (0.45) ESR1ESR2ABHD6
SCHEMBL3830645 0.77 ESR1 (0.48) ESR1ESR2XIAPBIRC2ABHD6

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374796-B1 8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, its salts, solvates or hydrates and its use for the treatment of CNS disorderes ARENA PHARM INC (US) 2018-02-28 — — EP disclosed
US-20160250223-A1 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2016-09-01 — — US disclosed
US-20160024014-A1 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2016-01-28 — — US disclosed
US-8993750-B2 5HT2C receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2015-03-31 — — US disclosed
US-20150087634-A1 5HT2C RECEPTOR MODULATOR COMPOSITIONS ARENA PHARMACEUTICALS, INC. 2015-03-26 — — US disclosed
US-20150045552-A1 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2015-02-12 — — US disclosed
US-8846906-B2 5HT2C receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2014-09-30 — — US disclosed
US-8575149-B2 5HT2C receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2013-11-05 — — US disclosed
US-8546379-B2 5HT2C receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2013-10-01 — — US disclosed
US-8546378-B2 5HT2C receptor modulator compositions and methods of use ARENA PHARMACEUTICALS, INC. (US) 2013-10-01 — — US disclosed
US-20070060568-A1 Obesity therapy; using 3-benzoazepine compound ARENA PHARMACEUTICALS, A DELAWARE CORPORATION 2007-03-15 — — US disclosed
EP-1411881-B9 5HT2C RECEPTOR MODULATORS ARENA PHARM INC (US) 2006-11-15 — — EP disclosed
US-6953787-B2 5HT2C receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2005-10-11 — — US disclosed
EP-1557409-A1 5HT2C receptor modulators Arena Pharmaceuticals, Inc. (US) 2005-07-27 — — EP disclosed
EP-1411881-B1 5HT2C RECEPTOR MODULATORS ARENA PHARM INC (US) 2005-05-04 — — EP disclosed
US-20050020573-A1 Obesity; using 3-benoazepine compound ARENA PHARMACEUTICALS, INC. (US) 2005-01-27 — — US disclosed
EP-1411881-A4 5HT sb 2C /sb RECEPTOR MODULATORS ARENA PHARM INC (US) 2004-07-07 — — EP disclosed
EP-1411881-A2 5HT sb 2C /sb RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2004-04-28 — — EP disclosed
US-20030225057-A1 3-Benzoazepine derivatives ARENA PHARMACEUTICALS, INC. (US) 2003-12-04 — — US disclosed
WO-2003086306-A2 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. (US) 2003-10-23 — — WO 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 (7 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-20030225057-A1 3-Benzoazepine derivatives HTR2C, HTR1A, HTR3A ESR1 1510/4885ESR2 848/4885XIAP 4844/4885
US-20050020573-A1 Obesity; using 3-benoazepine compound HTR2C, HTR3C, HTR3B ESR1 2872/4885ESR2 1307/4885XIAP 4720/4885
US-20070060568-A1 Obesity therapy; using 3-benzoazepine compound HTR2C, HTR3B, HTR3C ESR1 1112/4885ESR2 733/4885XIAP 4841/4885
US-20150087634-A1 5HT2C RECEPTOR MODULATOR COMPOSITIONS HTR2C, HTR2A, HTR5A ESR1 1578/4885ESR2 1476/4885XIAP 4745/4885
US-20160024014-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A ESR1 1469/4885ESR2 559/4885XIAP 4785/4885
US-20150045552-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A ESR1 1469/4885ESR2 559/4885XIAP 4785/4885
US-20160250223-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A ESR1 1469/4885ESR2 559/4885XIAP 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.