Sugi Predict

Sugi Predict / Compounds / SCHEMBL1105046

SCHEMBL1105046

SCHEMBL1105046

CCCN1CCc2cc(OC)c(I)cc2C(C)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ HTR2B P41595 1/20 0.52
▸ ABCB1 P08183 2/20 0.43
▸ MAOA P21397 1/20 0.43
▸ KCNN2 Q9H2S1 4/20 0.40
▸ KCNN3 Q9UGI6 4/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ KCNN1 Q92952 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL1095226 1.00 HTR2A (0.52) HTR2AHTR2CHTR2BABCB1MAOA
SCHEMBL1095228 1.00 HTR2A (0.52) HTR2AHTR2CHTR2BABCB1MAOA
SCHEMBL1105038 0.85 HTR2C (0.52) HTR2AHTR2CHTR2BABCB1MAOA
SCHEMBL1094869 0.85 HTR2C (0.52) HTR2AHTR2CHTR2BABCB1MAOA
SCHEMBL1094867 0.85 HTR2C (0.52) HTR2AHTR2CHTR2BABCB1MAOA
SCHEMBL9290125 0.83 DRD3 (0.37) —
SCHEMBL6298614 0.83 HTR2A (0.58) HTR2AHTR2CHTR2BMAOAKCNN2
SCHEMBL2365794 0.79 HTR2C (0.57) HTR2AHTR2CHTR2B
SCHEMBL2201815 0.74 CYP3A4 (0.47) HTR2AHTR2CHTR2BABCB1MAOA
SCHEMBL28947654 0.74 HTR2A (0.54) HTR2AHTR2CHTR2BMAOACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012495-A1 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-01-10 — — US claimed
US-20070060568-A1 Obesity therapy; using 3-benzoazepine compound ARENA PHARMACEUTICALS, A DELAWARE CORPORATION 2007-03-15 — — US claimed
EP-1411881-B9 5HT2C RECEPTOR MODULATORS ARENA PHARM INC (US) 2006-11-15 — — EP claimed
EP-1557409-A1 5HT2C receptor modulators Arena Pharmaceuticals, Inc. (US) 2005-07-27 — — EP claimed
EP-1411881-B1 5HT2C RECEPTOR MODULATORS ARENA PHARM INC (US) 2005-05-04 — — EP claimed
US-20050020573-A1 Obesity; using 3-benoazepine compound ARENA PHARMACEUTICALS, INC. (US) 2005-01-27 — — US claimed
EP-1411881-A4 5HT sb 2C /sb RECEPTOR MODULATORS ARENA PHARM INC (US) 2004-07-07 — — EP claimed
EP-1411881-A2 5HT sb 2C /sb RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2004-04-28 — — EP claimed
US-20030225057-A1 3-Benzoazepine derivatives ARENA PHARMACEUTICALS, INC. (US) 2003-12-04 — — US claimed
WO-2003086306-A2 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. (US) 2003-10-23 — — WO claimed
US-20210052600-A1 THERAPEUTIC AGENTS FOR STRESS URINARY INCONTINENCE AND INCOTINENCE OF FECES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-02-25 — — US disclosed
EP-3733204-A1 THERAPEUTIC AGENT FOR STRESS URINARY INCONTINENCE AND FECAL INCONTINENCE Takeda Pharmaceutical Company Limited (JP) 2020-11-04 — — EP disclosed
US-20160250223-A1 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2016-09-01 — — US 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-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 (6 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 HTR2A 13/4885HTR2C 1/4885HTR2B 10/4885
US-20050020573-A1 Obesity; using 3-benoazepine compound HTR2C, HTR3C, HTR3B HTR2A 7/4885HTR2C 1/4885HTR2B 14/4885
US-20070060568-A1 Obesity therapy; using 3-benzoazepine compound HTR2C, HTR3B, HTR3C HTR2A 8/4885HTR2C 1/4885HTR2B 6/4885
US-20130012495-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A HTR2A 2/4885HTR2C 1/4885HTR2B 7/4885
US-20160024014-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A HTR2A 2/4885HTR2C 1/4885HTR2B 7/4885
US-20160250223-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A HTR2A 2/4885HTR2C 1/4885HTR2B 7/4885

“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.