SCHEMBL7553329

SCHEMBL7553329

O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2O)CC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.63
▸ ADRA2A P08913 2/20 0.63
▸ DRD3 P35462 2/20 0.63
▸ ADRA1A P35348 2/20 0.63
▸ ABCB11 O95342 1/20 0.63
▸ ADORA3 P0DMS8 1/20 0.63
▸ CHRM1 P11229 1/20 0.63
▸ DRD1 P21728 1/20 0.63
▸ TBXA2R P21731 1/20 0.63
▸ SLC6A4 P31645 1/20 0.63
▸ OPRM1 P35372 1/20 0.63
▸ KCNH2 Q12809 1/20 0.63
▸ HTR7 P34969 12/20 0.60
▸ P2RX7 Q99572 1/20 0.51
▸ ADRA1B P35368 2/20 0.48
▸ LMNA P02545 1/20 0.47
▸ DRD2 P14416 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ ADRA1D P25100 1/20 0.46

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
SCHEMBL12715448 0.84 HTR7 (0.67) HTR1AADRA2ADRD3ADRA1AABCB11
SCHEMBL12319206 0.84 HTR7 (0.56) HTR1AADRA2ADRD3ADRA1AABCB11
SCHEMBL27246583 0.83 HTR7 (0.68) HTR1AADRA2ADRD3ADRA1AABCB11
SCHEMBL7552254 0.81 HTR1A (0.70) HTR1AADRA2ADRD3ADRA1AABCB11
SCHEMBL7552451 0.81 HTR1A (0.70) HTR1AADRA2ADRD3ADRA1AABCB11
SCHEMBL678268 0.78 HTR1A (0.78) HTR1AADRA2ADRD3ADRA1AABCB11
Flibanserin SCHEMBL30249132 0.77 HTR1A (1.00) HTR1AADRA2ADRD3ADRA1AABCB11
Flibanserin SCHEMBL29399513 0.77 HTR1A (1.00) HTR1AADRA2ADRD3ADRA1AABCB11
Flibanserin SCHEMBL247579 0.77 HTR1A (1.00) HTR1AADRA2ADRD3ADRA1AABCB11
SCHEMBL12715437 0.77 HTR1A (0.70) HTR1AADRA2ADRD3ADRA1AABCB11

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090176698-A1 Benzimidazolone Derivatives for the Treatment of Urinary Incontinence BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-09 — — 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
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
WO-2007048801-A2 SEXUAL DESIRE ENHANCING MEDICAMENTS COMPRISING BENZIMIDAZOLONE DERIVATIVES 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 (2 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-20090176698-A1 Benzimidazolone Derivatives for the Treatment of Urinary Incontinence HRH2, AVPR2, HRH1 HTR1A 765/4885ADRA2A 296/4885DRD3 1608/4885
US-20080242679-A1 Benzimidazolone Derivatives For the Treatment of Premenstrual and Other Female Sexual Disorders GABBR1, CYP19A1, GABBR2 HTR1A 195/4885ADRA2A 467/4885DRD3 230/4885

“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.

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