SCHEMBL4131272

SCHEMBL4131272

CN(C)CCNc1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
CYP2C19 P33261 1/20 0.47
NCF1 P14598 2/20 0.46
SLC2A1 P11166 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MALT1 Q9UDY8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KAT2B Q92831 2/20 0.43
BRD4 O60885 1/20 0.42
ATAD2 Q6PL18 1/20 0.42
PSIP1 O75475 1/20 0.42

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
SCHEMBL10798671 0.81 CHEK1 (0.54) KDM4EHSD17B10L3MBTL1KAT2BPSIP1
SCHEMBL10803538 0.78 MAPT (0.69) CYP2C19NCF1SLC2A1ALDH1A1MALT1
SCHEMBL6233644 0.78 PSIP1 (0.50) CYP2C19ALDH1A1L3MBTL1PSIP1
SCHEMBL974274 0.77 NCF1 (0.53) CYP2C19NCF1SLC2A1ALDH1A1KDM4E
SCHEMBL7906171 0.77 MALT1 (0.47) CYP2C19NCF1SLC2A1ALDH1A1KDM4E
SCHEMBL24711106 0.77 CYP2C19 (0.47) CYP2C19NCF1SLC2A1ALDH1A1KDM4E
SCHEMBL15956333 0.77 CYP2C19 (0.47) CYP2C19NCF1SLC2A1ALDH1A1KDM4E
SCHEMBL30457115 0.77 NCF1 (0.53) CYP2C19NCF1SLC2A1ALDH1A1KDM4E
SCHEMBL28211899 0.77 CYP2C19 (0.51) TAAR1CYP2C19NCF1SLC2A1ALDH1A1
SCHEMBL14924462 0.77 NCF1 (0.43) NCF1SLC2A1ALDH1A1KDM4EKAT2B

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-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NATIONAL SUN YAT-SEN UNIVERSITY 2009-06-25 US claimed
US-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NATIONAL SUN YAT-SEN UNIVERSITY 2009-06-25 US disclosed
US-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NATIONAL SUN YAT-SEN UNIVERSITY 2009-06-25 US disclosed
US-4681898-A ANTI-DIABETIC, HYPOGLYECMIC AGENTS SANDOZ PHARMACEUTICALS CORP. (US) 1987-07-21 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-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NCOR2, OXGR1, NCOR1 TAAR1 46/4885CYP2C19 649/4885NCF1 2708/4885

“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.