SCHEMBL3489392

SCHEMBL3489392

CNC1(c2nc3ccccc3[nH]2)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.43
PKM P14618 2/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
ABCB11 O95342 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DDAH1 O94760 1/20 0.38
EPHX2 P34913 1/20 0.38
MASP2 O00187 1/20 0.38
MEN1 O00255 1/20 0.38
NUDT1 P36639 1/20 0.38
KMT2A Q03164 1/20 0.38
AOC3 Q16853 1/20 0.38
BCHE P06276 1/20 0.37
PLAUR Q03405 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
SCHEMBL1299519 0.80 PARP1 (0.54) HTR3APKMKDM4EALDH1A1HSD17B10
SCHEMBL3489011 0.77 HTR3A (0.46) HTR3APKMKDM4EALDH1A1HSD17B10
SCHEMBL665135 0.75 PARP1 (0.56) HTR3APKMKDM4EALDH1A1HSD17B10
SCHEMBL2309386 0.75 OPRM1 (0.56) HTR3APKMKDM4EALDH1A1HSD17B10
SCHEMBL3489582 0.73 HTR3A (0.43) HTR3APKMKDM4EALDH1A1HSD17B10
SCHEMBL3490976 0.73 HTR3A (0.43) HTR3APKMKDM4EALDH1A1HSD17B10
SCHEMBL6755331 0.73 ALDH1A1 (0.48) PKMKDM4EALDH1A1HSD17B10NPC1
SCHEMBL3489870 0.71 AKT2 (0.50)
SCHEMBL6753927 0.70 BCHE (0.46) PKMKDM4EALDH1A1HSD17B10NPC1
SCHEMBL19377879 0.70 BCHE (0.52) PKMKDM4EALDH1A1HSD17B10NPC1

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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO 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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A HTR3A 456/4885PKM 610/4885KDM4E 1870/4885

“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.