SCHEMBL5077366

SCHEMBL5077366

COC(=O)C1CC1(C(=O)OC)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 9/20 0.52
HTR2C P28335 1/20 0.47
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NTRK3 Q16288 1/20 0.40
SRPK1 Q96SB4 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4451893 1.00 ADAM17 (0.52) ADAM17HTR2CATML3MBTL1NTRK3
SCHEMBL2823324 0.86 ATM (0.56) ADAM17ATML3MBTL1
SCHEMBL11075435 0.83 ADAM17 (0.49) ADAM17ATML3MBTL1
SCHEMBL11078762 0.82 ADAM17 (0.47) ADAM17HTT
SCHEMBL11470653 0.82 ADAM17 (0.42) ADAM17
SCHEMBL3984092 0.79 ADAM17 (0.53) ADAM17
SCHEMBL4776144 0.78 HTR2C (0.57) HTR2C
SCHEMBL11082553 0.78 ADAM17 (0.45) ADAM17
SCHEMBL15607721 0.77 HTR2C (0.56) HTR2C
SCHEMBL19860381 0.77 HTR2C (0.56) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009538-A1 Methods and compositions for the treatment of urinary incontinence DOV PHARMACEUTICAL, INC. 2008-01-10 US 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
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
US-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes DOV PHARMACEUTICAL, INC. 2006-10-05 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 ADAM17 3502/4885HTR2C 456/4885ATM 4558/4885
US-20070082938-A1 Polymorphs of bicifadine hydrochloride SF3B5, SFPQ, BBC3 ADAM17 3502/4885HTR2C 456/4885ATM 4558/4885
US-20040102638-A1 Polymorphs of bicifadine hydrochloride SF3B5, SFPQ, BBC3 ADAM17 3502/4885HTR2C 456/4885ATM 4558/4885
US-20080009538-A1 Methods and compositions for the treatment of urinary incontinence BPHL, MYOF, NISCH ADAM17 621/4885HTR2C 2154/4885ATM 4109/4885
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders ACHE, LTC4S, CCR5 ADAM17 3246/4885HTR2C 704/4885ATM 3639/4885
US-20060100263-A1 Antipyretic compositions and methods GABRE, HTR5A, TPH2 ADAM17 1887/4885HTR2C 16/4885ATM 2216/4885
US-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes HTR1B, SLC6A3, CYP1B1 ADAM17 4336/4885HTR2C 26/4885ATM 4758/4885

“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.