SCHEMBL3985879

SCHEMBL3985879

CS(=O)(=O)c1ccc2c(c1)CC(=O)CC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.54
CYP2A6 P11509 1/20 0.47
KDM1A O60341 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
G6PD P11413 1/20 0.40
IDE P14735 1/20 0.40
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
ALDH3A1 P30838 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36

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
SCHEMBL3981466 0.82 CYP2A6 (0.47) PNMTCYP2A6CA12CA1CA2
SCHEMBL3981462 0.81 HTR2C (0.60) CYP2A6CA12CA1CA2CA7
SCHEMBL3984892 0.81 PNMT (0.57) PNMTCYP2A6CA12CA1CA2
SCHEMBL11948273 0.77 PNMT (0.61) PNMTKDM1ACA12CA1CA2
SCHEMBL12828070 0.77 CA12 (0.66) PNMTKDM1ACA12CA1CA2
SCHEMBL3847559 0.73 CYP2A6 (0.54) CYP2A6SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL43307 0.73 METAP1 (0.53) CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1
SCHEMBL10158484 0.73 PNMT (0.56) PNMTKDM1ACA12CA1CA2
SCHEMBL29940518 0.73 METAP1 (0.53) CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1
SCHEMBL4030704 0.73 PNMT (0.81) PNMTHTR2CHTR2BADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550467-B2 Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders SCHERING CORPORATION (US) 2009-06-23 US disclosed
US-7550467-B2 Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders SCHERING CORPORATION (US) 2009-06-23 US disclosed
US-7550467-B2 Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders SCHERING CORPORATION (US) 2009-06-23 US disclosed
CN-101076524-A Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders PHARMACOPEIA DRUG DISCOVERY (US) 2007-11-21 CN disclosed
EP-1807409-A2 BICYCLIC COMPOUNDS AS SELECTIVE MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND RELATED DISORDERS Pharmacopeia Drug Discovery, Inc. (US) 2007-07-18 EP disclosed
US-20060111360-A1 Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders PHARMACOPEIA DRUG DISCOVERY, INC. 2006-05-25 US disclosed
WO-2006044293-A2 BICYCLIC COMPOUNDS AS SELECTIVE MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND RELATED DISORDERS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2006-04-27 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 (1 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-20060111360-A1 Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders MCHR1, MCHR2, MC4R PNMT 150/4885CYP2A6 1733/4885KDM1A 702/4885

“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.