SCHEMBL3348280

SCHEMBL3348280

CC(C)CNCCCC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
ANPEP P15144 2/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA2 P00918 1/20 0.37
CACNA1G O43497 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
EPHX1 P07099 1/20 0.36
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
PAOX Q6QHF9 1/20 0.34
ERAP2 Q6P179 1/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL3318901 0.89 SCN1A (0.41) SCN1ASCN2ASCN3AANPEPCYP2D6
SCHEMBL4751813 0.83 CYP2D6 (0.43) CYP2D6CYP2C19CACNA1GALDH1A1
SCHEMBL20711383 0.81 CYP2D6 (0.37) SCN1ASCN2ASCN3AANPEPCYP2D6
SCHEMBL27249527 0.79 TSHR (0.54) SCN1ASCN2ASCN3ACA12CA7
SCHEMBL26064326 0.78 MAOA (0.46) CYP2C19CA2MAOAMAOBPAOX
SCHEMBL24482451 0.78 CACNA1G (0.34) SCN1ASCN2ASCN3AANPEPCYP2D6
SCHEMBL6516711 0.77 ADRA1A (0.48) CYP2D6CYP2C19ALDH1A1
SCHEMBL642265 0.76 CYP2D6 (0.38) SCN1ASCN2ASCN3AANPEPCYP2D6
SCHEMBL8279519 0.76 EPHX1 (0.36) SCN1ASCN2ASCN3AANPEPCYP2D6
SCHEMBL9624660 0.75 HRH4 (0.47) SCN1ASCN2ASCN3AANPEPCYP2D6

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-20100104659-A1 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2010-04-29 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-20100104659-A1 BENZOPYRANOPYRAZOLES BAX, BCL2, BAD SCN1A 3581/4885SCN2A 4011/4885SCN3A 3506/4885

“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.