SCHEMBL4556388

SCHEMBL4556388

Cc1ccc(C23CC2C(=O)NC3=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.72
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAOB P27338 4/20 0.40
MAOA P21397 2/20 0.40
NTRK3 Q16288 1/20 0.37
SRPK1 Q96SB4 1/20 0.37
CRBN Q96SW2 2/20 0.36
DDB1 Q16531 1/20 0.36
CXCR3 P49682 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
SCHEMBL14520901 1.00 CYP19A1 (0.72) CYP19A1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4759593 0.84 CYP19A1 (0.70) CYP19A1CRBNCXCR3
SCHEMBL10530071 0.84 CYP19A1 (1.00) CYP19A1
SCHEMBL22623727 0.84 CYP19A1 (1.00) CYP19A1
SCHEMBL8245665 0.84 CYP19A1 (0.70) CYP19A1CRBNCXCR3
Cyproximide SCHEMBL121879 0.84 CYP19A1 (0.70) CYP19A1SLC6A2SLC6A4SLC6A3MAOB
SCHEMBL13201868 0.84 CYP19A1 (0.70) CYP19A1CRBNCXCR3
SCHEMBL10530941 0.84 CYP19A1 (1.00) CYP19A1
SCHEMBL2054565 0.83 CYP19A1 (0.69) CYP19A1KCNH2MAOBMAOACXCR3
SCHEMBL1552771 0.83 CYP19A1 (0.69) CYP19A1KCNH2MAOBMAOACXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879578-A4 METHODS AND COMPOSITIONS FOR THE TREATMENT OF URINARY INCONTINENCE DOV PHARMACEUTICAL INC (US) 2009-05-13 EP disclosed
EP-1879578-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF URINARY INCONTINENCE DOV Pharmaceutical Inc. (US) 2008-01-23 EP disclosed
US-20080009538-A1 Methods and compositions for the treatment of urinary incontinence DOV PHARMACEUTICAL, INC. 2008-01-10 US disclosed
EP-1807071-A4 ANTIPYRETIC COMPOSITIONS AND METHODS DOV PHARMACEUTICAL INC (US) 2008-01-09 EP disclosed
EP-1807071-A2 ANTIPYRETIC COMPOSITIONS AND METHODS DOV Pharmaceutical Inc. (US) 2007-07-18 EP disclosed
US-20070149599-A1 Polymorphs of bicifadine hydrochloride DOV PHARMACEUTICAL, INC. 2007-06-28 US disclosed
US-20070082938-A1 Polymorphs of bicifadine hydrochloride DOV PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders LIPPA ARNOLD S 2007-04-12 US disclosed
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders LIPPA ARNOLD S 2007-04-12 US disclosed
WO-2007014264-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPATHIES AND RELATED DISORDERS DOV PHARMACEUTICAL, INC. (US) 2007-02-01 WO disclosed
WO-2006102029-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF URINARY INCONTINENCE DOV PHARMACEUTICAL, INC. (US) 2006-09-28 WO disclosed
US-7094799-B2 A single, thermodynamical stable crystal structure, is crystallized from a cooled and agitated solvent solution, analgesic drug for reducing pain DOV PHARMACEUTICAL, INC. (US) 2006-08-22 US disclosed
WO-2006050520-A2 ANTIPYRETIC COMPOSITIONS AND METHODS DOV PHARMACEUTICAL, INC. (US) 2006-05-11 WO disclosed
US-20060100263-A1 Antipyretic compositions and methods DOV PHARMACEUTICAL, INC. 2006-05-11 US disclosed
US-20040102638-A1 Polymorphs of bicifadine hydrochloride EUTHYMICS BIOSCIENCE, INC. 2004-05-27 US disclosed
US-4435419-A Method of treating depression using azabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1984-03-06 US disclosed
US-4231935-A ANXIOLYTICS AND ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-11-04 US disclosed
US-4196120-A 1,2-BIS(HYDROCARBYLSULFONYLOXY OR HALO METHYL)CYCLOPROPYLBENZENE, OPTICAL ACITIVITY ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-04-01 US disclosed
US-4131611-A ANXIOLYTIC, ANALGESIC AMERICAN CYANAMID COMPANY (US) 1978-12-26 US disclosed
US-4118417-A Process for resolving cis-1-substituted phenyl-1,2-cyclopropanedicarboxylic acids AMERICAN CYANAMID COMPANY (US) 1978-10-03 US 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-20070149599-A1 Polymorphs of bicifadine hydrochloride SF3B5, SFPQ, BBC3 CYP19A1 1368/4885SLC6A2 1404/4885SLC6A4 783/4885
US-20070082938-A1 Polymorphs of bicifadine hydrochloride SF3B5, SFPQ, BBC3 CYP19A1 1368/4885SLC6A2 1404/4885SLC6A4 783/4885
US-20040102638-A1 Polymorphs of bicifadine hydrochloride SF3B5, SFPQ, BBC3 CYP19A1 1368/4885SLC6A2 1404/4885SLC6A4 783/4885
US-20080009538-A1 Methods and compositions for the treatment of urinary incontinence BPHL, MYOF, NISCH CYP19A1 2167/4885SLC6A2 625/4885SLC6A4 1813/4885
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders ACHE, LTC4S, CCR5 CYP19A1 1884/4885SLC6A2 1776/4885SLC6A4 1519/4885
US-20060100263-A1 Antipyretic compositions and methods GABRE, HTR5A, TPH2 CYP19A1 29/4885SLC6A2 1744/4885SLC6A4 673/4885

“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.