Flibanserin

Flibanserin

SCHEMBL2521706

O=P(O)(O)O.O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Flibanserin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A known ✓ P35348 1/20 0.90
OPRM1 known ✓ P35372 1/20 0.90
KCNH2 known ✓ Q12809 1/20 0.90
HTR1A P08908 6/20 0.90
DRD3 P35462 2/20 0.90
ABCB11 O95342 1/20 0.90
ADRA2A P08913 1/20 0.90
ADORA3 P0DMS8 1/20 0.90
CHRM1 P11229 1/20 0.90
DRD1 P21728 1/20 0.90
TBXA2R P21731 1/20 0.90
SLC6A4 P31645 1/20 0.90
HTR7 P34969 8/20 0.65
NPSR1 Q6W5P4 2/20 0.56
LMNA P02545 2/20 0.54
TP53 P04637 2/20 0.54
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54

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
Flibanserin SCHEMBL247579 0.95 HTR1A (1.00) HTR1ADRD3ABCB11ADRA2AADORA3
Flibanserin SCHEMBL29399513 0.95 HTR1A (1.00) HTR1ADRD3ABCB11ADRA2AADORA3
Flibanserin SCHEMBL30249132 0.95 HTR1A (1.00) HTR1ADRD3ABCB11ADRA2AADORA3
Flibanserin SCHEMBL19743166 0.94 HTR1A (0.98) HTR1ADRD3ABCB11ADRA2AADORA3
Flibanserin SCHEMBL19743151 0.94 HTR1A (0.98) HTR1ADRD3ABCB11ADRA2AADORA3
Flibanserin SCHEMBL2526226 0.94 HTR1A (0.98) HTR1ADRD3ABCB11ADRA2AADORA3
Flibanserin SCHEMBL563586 0.94 HTR1A (0.98) HTR1ADRD3ABCB11ADRA2AADORA3
Flibanserin SCHEMBL2525812 0.92 HTR1A (0.90) HTR1ADRD3ABCB11ADRA2AADORA3
SCHEMBL8123196 0.91 HTR1A (0.92) HTR1ADRD3ABCB11ADRA2AADORA3
Flibanserin SCHEMBL2524720 0.91 HTR1A (0.87) HTR1ADRD3ABCB11ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9546141-B2 Salts SPROUT PHARMACEUTICALS, INC. (US) 2017-01-17 US claimed
US-20150126524-A1 Salts SPROUT PHARMACEUTICALS, INC. (US) 2015-05-07 US claimed
US-20120322810-A9 NEW SALTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US claimed
US-20120122883-A1 NEW SALTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US claimed
EP-2376457-A2 CRYSTALLINE SALT FORMS OF FLIBANSERINE Boehringer Ingelheim International GmbH (DE) 2011-10-19 EP claimed
WO-2010079045-A2 NEW SALTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-15 WO claimed
US-9546141-B2 Salts SPROUT PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-20150126524-A1 Salts SPROUT PHARMACEUTICALS, INC. (US) 2015-05-07 US disclosed
US-20120322810-A9 NEW SALTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120122883-A1 NEW SALTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US disclosed
EP-2376457-A2 CRYSTALLINE SALT FORMS OF FLIBANSERINE Boehringer Ingelheim International GmbH (DE) 2011-10-19 EP disclosed
WO-2010079045-A2 NEW SALTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-15 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 (3 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-20120122883-A1 NEW SALTS FLNB, FLNA, SLC10A1 ADRA1A 775/4885OPRM1 2079/4885KCNH2 963/4885
US-20120322810-A9 NEW SALTS FLNB, FLNA, SLC10A1 ADRA1A 775/4885OPRM1 2079/4885KCNH2 963/4885
US-20150126524-A1 Salts FLNB, FLNA, SLC10A1 ADRA1A 484/4885OPRM1 1612/4885KCNH2 870/4885

“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.