SCHEMBL960139

SCHEMBL960139

O=c1[nH]c2ccc(O)cc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.78
ABCB11 O95342 1/20 0.78
ADRA2A P08913 1/20 0.78
ADORA3 P0DMS8 1/20 0.78
CHRM1 P11229 1/20 0.78
DRD1 P21728 1/20 0.78
TBXA2R P21731 1/20 0.78
SLC6A4 P31645 1/20 0.78
ADRA1A P35348 1/20 0.78
OPRM1 P35372 1/20 0.78
DRD3 P35462 1/20 0.78
KCNH2 Q12809 1/20 0.78
DRD2 P14416 5/20 0.56
HTR2A P28223 2/20 0.56
HTR7 P34969 4/20 0.54
HTR2C P28335 2/20 0.53
NPSR1 Q6W5P4 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50

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
SCHEMBL6605767 0.92 HTR1A (0.78) HTR1AABCB11ADRA2AADORA3CHRM1
Flibanserin SCHEMBL29399513 0.88 HTR1A (1.00) HTR1AABCB11ADRA2AADORA3CHRM1
Flibanserin SCHEMBL30249132 0.88 HTR1A (1.00) HTR1AABCB11ADRA2AADORA3CHRM1
Flibanserin SCHEMBL247579 0.88 HTR1A (1.00) HTR1AABCB11ADRA2AADORA3CHRM1
Flibanserin SCHEMBL563586 0.87 HTR1A (0.98) HTR1AABCB11ADRA2AADORA3CHRM1
Flibanserin SCHEMBL19743151 0.87 HTR1A (0.98) HTR1AABCB11ADRA2AADORA3CHRM1
Flibanserin SCHEMBL2526226 0.87 HTR1A (0.98) HTR1AABCB11ADRA2AADORA3CHRM1
Flibanserin SCHEMBL19743166 0.87 HTR1A (0.98) HTR1AABCB11ADRA2AADORA3CHRM1
SCHEMBL12744407 0.86 HTR1A (0.57) HTR1AABCB11ADRA2AADORA3CHRM1
SCHEMBL14530493 0.86 HTR7 (0.66) HTR1AABCB11ADRA2AADORA3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218352-A1 BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 2002-07-03 EP claimed
US-6281218-B1 USEFUL IN THE TREATMENT OF CNS DISORDERS. INGELHEIM ITALIA S.P.A. (IT) 2001-08-28 US claimed
WO-2001021593-A1 NEW BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 2001-03-29 WO claimed
US-20150368204-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity Salix Pharmaceuticals, Ltd 2015-12-24 US disclosed
US-20150011564-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity SPROUT PHARMACEUTICALS, INC. (US) 2015-01-08 US disclosed
US-8722682-B2 Sulfated benzimidazolone derivatives having mixed serotonin receptor affinity SPROUT PHARMACEUTICALS, INC. (US) 2014-05-13 US disclosed
EP-2097389-B1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY BOEHRINGER INGELHEIM INT (DE) 2011-09-14 EP disclosed
US-7923449-B2 Using 1-(2-(3-trifluoromethylphenyl)piperazin-1-yl)ethyl)2,3-dihydro-1H-benzimidazol-2-one BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-12 US disclosed
US-7923449-B2 Using 1-(2-(3-trifluoromethylphenyl)piperazin-1-yl)ethyl)2,3-dihydro-1H-benzimidazol-2-one BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-12 US disclosed
US-20110015207-A1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
US-20090176698-A1 Benzimidazolone Derivatives for the Treatment of Urinary Incontinence BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-09 US disclosed
US-20080242679-A1 Benzimidazolone Derivatives For the Treatment of Premenstrual and Other Female Sexual Disorders VRX HOLDCO LLC 2008-10-02 US disclosed
WO-2008061968-A1 BENZIMIDAZOLONE DERIVATES IN THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO disclosed
WO-2007096300-A1 BENZIMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-30 WO disclosed
US-20070123540-A1 Sexual desire enhancing medicaments comprising benzimidazolone derivatives CECI ANGELO 2007-05-31 US disclosed
US-20070123540-A1 Sexual desire enhancing medicaments comprising benzimidazolone derivatives CECI ANGELO 2007-05-31 US disclosed
WO-2007048803-A1 BENZIMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF PREMENSTRUAL AND OTHER FEMALE SEXUAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed
EP-1218352-A1 BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 2002-07-03 EP disclosed
US-6281218-B1 USEFUL IN THE TREATMENT OF CNS DISORDERS. INGELHEIM ITALIA S.P.A. (IT) 2001-08-28 US disclosed
WO-2001021593-A1 NEW BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 2001-03-29 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-20070123540-A1 Sexual desire enhancing medicaments comprising benzimidazolone derivatives SHBG, GABBR1, GABRE HTR1A 78/4885ABCB11 1608/4885ADRA2A 85/4885
US-20090176698-A1 Benzimidazolone Derivatives for the Treatment of Urinary Incontinence HRH2, AVPR2, HRH1 HTR1A 765/4885ABCB11 868/4885ADRA2A 296/4885
US-20150011564-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity HTR3B, HTR3A, HTR1E HTR1A 4/4885ABCB11 794/4885ADRA2A 292/4885
US-20150368204-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity HTR3B, HTR3A, HTR1E HTR1A 4/4885ABCB11 849/4885ADRA2A 288/4885
US-20080242679-A1 Benzimidazolone Derivatives For the Treatment of Premenstrual and Other Female Sexual Disorders GABBR1, CYP19A1, GABBR2 HTR1A 195/4885ABCB11 2387/4885ADRA2A 467/4885
US-20110015207-A1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY HTR3A, HTR3B, NPSR1 HTR1A 7/4885ABCB11 725/4885ADRA2A 192/4885

“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.