SCHEMBL24045600

SCHEMBL24045600

CCOc1ccc2nnc(CC)n2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.46
NQO1 P15559 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
SCN5A Q14524 2/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RBP4 P02753 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NOTUM Q6P988 1/20 0.37
TP53 P04637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CACNA2D1 P54289 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL13687333 0.85 SCN5A (0.47) MAPK14SCN5ASMN1; SMN2POLB
SCHEMBL17232696 0.81 NQO1 (0.43) MAPK14NQO1CYP1A2CYP2C19KDM4E
SCHEMBL17229817 0.78 MAPK14 (0.44) MAPK14NQO1KDM4EMEN1KMT2A
SCHEMBL11472924 0.76 SCN5A (0.63) MAPK14SCN5AMEN1KMT2ATSHR
SCHEMBL16686975 0.75 MAPK14 (0.47) MAPK14SCN5AKDM4ETSHRTDP1
SCHEMBL13687352 0.74 MAPK14 (0.58) MAPK14SCN5AKDM4ETSHRTDP1
SCHEMBL13687351 0.74 POLB (0.46) MAPK14CYP1A2CYP2C19KDM4ENPC1
SCHEMBL19292809 0.72 SCN5A (0.44) CYP1A2CYP2C19SCN5AMEN1KMT2A
SCHEMBL13687349 0.70 MAPK14 (0.43) MAPK14CYP2C19RBP4RAB9APOLB
SCHEMBL13687337 0.70 SCN5A (0.50) MAPK14CYP1A2SCN5AKDM4ERBP4

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-20210363155-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-11-25 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-20210363155-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HTR3C, HRH4, CYP4F3 MAPK14 3302/4885NQO1 1001/4885CYP1A2 116/4885

“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.