SCHEMBL20106676

SCHEMBL20106676

CC(Cl)[C@H](C)Oc1ccc(CN)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.44
CSNK2A1 P68400 2/20 0.42
MAOB P27338 7/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
POLB P06746 1/20 0.41
SLC6A4 P31645 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37

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
SCHEMBL24003314 0.82 TAAR1 (0.44) CSNK2A1MAOBNOS3NOS1NOS2
SCHEMBL746669 0.79 POLB (0.55) ST14CSNK2A1MAOBKEAP1NFE2L2
Hydrochloric Acid SCHEMBL30670765 0.78 CYP1A2 (0.56) ST14CSNK2A1MAOBKEAP1NFE2L2
SCHEMBL9809283 0.76 MAOB (0.47) ST14CSNK2A1MAOBKEAP1NFE2L2
Hydrochloric Acid SCHEMBL6574419 0.74 MAOB (0.46) ST14CSNK2A1MAOBKEAP1NFE2L2
SCHEMBL22563306 0.74 ST14 (0.45) ST14CSNK2A1MAOBKEAP1NFE2L2
SCHEMBL28475690 0.73 KEAP1 (0.49) ST14CSNK2A1MAOBKEAP1NFE2L2
SCHEMBL21501233 0.73 MTNR1A (0.43) MAOBPOLBSLC6A4
SCHEMBL22986087 0.73 MTNR1A (0.43) MAOBPOLBSLC6A4
SCHEMBL23674125 0.72 MAOB (0.44) ST14CSNK2A1MAOBKEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118735-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE GRA VENTURE FUND, LLC 2018-05-03 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 (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-20180118735-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R ST14 1435/4885CSNK2A1 3392/4885MAOB 693/4885

“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.