SCHEMBL12848426

SCHEMBL12848426

Cc1cc(C(C)C)nnc1C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 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
SCHEMBL12848583 0.78 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL13636034 0.78 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL25928381 0.76 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL25631745 0.76 NOS3 (0.42) NOS3NOS1NOS2
SCHEMBL22185962 0.76 CYP11B1 (0.35) NOS3NOS1NOS2
SCHEMBL24838164 0.73 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL6127823 0.73 GAA (0.35) NOS3NOS1NOS2
SCHEMBL24837565 0.73 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL25607226 0.73 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL25541521 0.72 CYP3A4 (0.37) NOS3NOS1NOS2

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-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
WO-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
US-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20150099738-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2015-04-09 US disclosed
US-8765735-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 US disclosed
US-20110034437-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-10 US disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 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 (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-20110034437-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 NOS3 1790/4885NOS1 1881/4885NOS2 1665/4885
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 NOS3 1790/4885NOS1 1881/4885NOS2 1665/4885
US-20150099738-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 NOS3 1790/4885NOS1 1881/4885NOS2 1665/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 NOS3 826/4885NOS1 394/4885NOS2 589/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 NOS3 248/4885NOS1 335/4885NOS2 211/4885

“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.