SCHEMBL10196360

SCHEMBL10196360

C=C1CCCc2ccsc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
TAAR1 Q96RJ0 3/20 0.35
PNMT P11086 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
MAP3K14 Q99558 1/20 0.30

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
SCHEMBL13845108 0.86
SCHEMBL17225408 0.77 NOS3 (0.44) NOS3NOS2TAAR1PNMTADRA2A
SCHEMBL631537 0.74 MAOA (0.42) NOS3NOS2TAAR1PNMTADRA2A
SCHEMBL15763737 0.73 NOS3 (0.52) NOS3NOS2TAAR1PNMTADRA2A
SCHEMBL10159213 0.71 NOS3 (0.39) NOS3NOS2TAAR1PNMTADRA2A
SCHEMBL13266268 0.70 PDE4D (0.39) NOS3NOS2ADRA2AADRA2BDRD2
SCHEMBL12483381 0.70 NOS3 (0.41) NOS3NOS2TAAR1PNMTADRA2A
SCHEMBL828997 0.69
SCHEMBL12160894 0.67 NOS3 (0.47) NOS3NOS2TAAR1PNMTADRA2A
SCHEMBL6331465 0.67 USP2 (0.47) NOS2PNMTADRA2AADRA2BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-8263764-B2 IL-12 Modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-09-11 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-12-01 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-7863270-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2011-01-04 US disclosed
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 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 (5 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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 NOS3 153/4885NOS2 155/4885TAAR1 4218/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 NOS3 1913/4885NOS2 1659/4885TAAR1 3278/4885
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IL15 NOS3 141/4885NOS2 54/4885TAAR1 3865/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 NOS3 283/4885NOS2 242/4885TAAR1 3684/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 NOS3 1913/4885NOS2 1659/4885TAAR1 3278/4885

“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.