SCHEMBL4928360

SCHEMBL4928360

Cc1cc(Cl)nc2c1CCC2

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.55
NOS1 P29475 1/20 0.55
NOS2 P35228 1/20 0.55
ACHE P22303 13/20 0.44
BCHE P06276 9/20 0.44
GRIN1 Q05586 9/20 0.44
GRIN2A Q12879 9/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
BPTF Q12830 1/20 0.39

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
SCHEMBL29770726 1.00 NOS3 (0.55) NOS3NOS1NOS2ACHEBCHE
SCHEMBL4926313 0.96 NOS3 (0.60) NOS3NOS1NOS2ACHEBCHE
SCHEMBL30225174 0.81 ACHE (0.45) NOS3NOS1NOS2ACHEBCHE
SCHEMBL3467970 0.81 ACHE (0.45) NOS3NOS1NOS2ACHEBCHE
Hydrochloric Acid SCHEMBL16668879 0.79 ACHE (0.47) ACHEBCHEGRIN1GRIN2AMEN1
Hydrochloric Acid SCHEMBL29710413 0.79 ACHE (0.47) ACHEBCHEGRIN1GRIN2AMEN1
SCHEMBL20416983 0.78 NOS3 (0.59) NOS3NOS1NOS2ACHEBCHE
SCHEMBL16872211 0.78 ACHE (0.40) NOS3NOS1NOS2ACHEBCHE
SCHEMBL2624108 0.77 ACHE (0.49) NOS3NOS1NOS2ACHEBCHE
SCHEMBL14671740 0.76 MAPT (0.41) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174662-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES CILAG AG (CH) 2024-05-30 US disclosed
EP-4284802-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES Janssen Biotech, Inc. (US) 2023-12-06 EP disclosed
US-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC 2023-01-05 US disclosed
US-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 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 (3 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-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor MCHR1, GPR119, MCHR2 NOS3 1226/4885NOS1 753/4885NOS2 1099/4885
US-20240174662-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES SIK2, SIK1, SGK2 NOS3 1492/4885NOS1 1880/4885NOS2 1419/4885
US-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL ADH1A, ADH1C, ADH5 NOS3 4104/4885NOS1 4431/4885NOS2 4380/4885

“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.