SCHEMBL1095486

SCHEMBL1095486

CC1CN(C(=O)C(F)(F)F)CCc2cc(-c3ccnn3C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.44
PDK1 Q15118 2/20 0.41
PDK2 Q15119 2/20 0.41
PDK3 Q15120 2/20 0.41
PDK4 Q16654 2/20 0.41
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
ESR1 P03372 5/20 0.37
ESR2 Q92731 5/20 0.37
SCD5 Q86SK9 1/20 0.37
AKT1 P31749 2/20 0.37
AKT2 P31751 1/20 0.37
ABL1 P00519 1/20 0.37
BRD4 O60885 2/20 0.37
CREBBP Q92793 2/20 0.37
CYP11B2 P19099 1/20 0.37
DRD2 P14416 2/20 0.36
EP300 Q09472 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL1094982 0.81 HTR2A (0.42) PDK2ESR1ESR2AKT1AKT2
SCHEMBL15290710 0.79 ESR1 (0.44) PDK2ESR1ESR2CREBBPEP300
SCHEMBL1095297 0.79 ESR2 (0.60) ESR1ESR2DRD2ABHD6
SCHEMBL4932882 0.79 ESR2 (0.60) ESR1ESR2DRD2ABHD6
SCHEMBL2374388 0.76 PDK1 (0.46) USP30PDK1PDK2PDK3PDK4
SCHEMBL1095168 0.76 ESR1 (0.52) ESR1ESR2ABHD6
SCHEMBL4937667 0.76 ESR1 (0.65) ESR1ESR2ABHD6
SCHEMBL1095538 0.76 ESR1 (0.65) ESR1ESR2ABHD6
SCHEMBL23745324 0.75 ESR1 (0.45) ESR1ESR2DRD2ABHD6
SCHEMBL31121185 0.75 ESR1 (0.45) ESR1ESR2DRD2ABHD6

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 40 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-8546378-B2 5HT2C receptor modulator compositions and methods of use ARENA PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-8546379-B2 5HT2C receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
EP-1411881-B9 5HT2C RECEPTOR MODULATORS ARENA PHARM INC (US) 2006-11-15 EP disclosed
WO-2006071740-A2 5HT2C RECEPTOR MODULATOR COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. (US) 2006-07-06 WO 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 (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 USP30 4128/4885PDK1 1522/4885PDK2 1021/4885
US-20050020573-A1 Obesity; using 3-benoazepine compound HTR2C, HTR3C, HTR3B USP30 4005/4885PDK1 1777/4885PDK2 796/4885
US-20150087634-A1 5HT2C RECEPTOR MODULATOR COMPOSITIONS HTR2C, HTR2A, HTR5A USP30 3354/4885PDK1 4833/4885PDK2 3203/4885
US-20160024014-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A USP30 3404/4885PDK1 2762/4885PDK2 1300/4885
US-20150045552-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A USP30 3404/4885PDK1 2762/4885PDK2 1300/4885
US-20160250223-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A USP30 3404/4885PDK1 2762/4885PDK2 1300/4885

“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.