SCHEMBL3490976

SCHEMBL3490976

NCC1(c2nc3ccccc3[nH]2)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.43
ALDH1A1 P00352 6/20 0.41
MASP2 O00187 1/20 0.41
MEN1 O00255 1/20 0.41
NUDT1 P36639 1/20 0.41
KMT2A Q03164 1/20 0.41
AOC3 Q16853 1/20 0.41
NPC1 O15118 8/20 0.40
RAB9A P51151 8/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 4/20 0.40
TP53 P04637 3/20 0.40
PKM P14618 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ABCB11 O95342 1/20 0.40
POLB P06746 2/20 0.38
DDAH1 O94760 1/20 0.38
BCHE P06276 2/20 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
SCHEMBL3489364 0.81 KMT2A (0.36) MEN1KMT2APOLBPARP1PARP2
SCHEMBL3489011 0.80 HTR3A (0.46) HTR3AALDH1A1MASP2MEN1NUDT1
SCHEMBL3490538 0.78 AURKA (0.38) HTR3AALDH1A1MEN1KMT2ANPC1
SCHEMBL1299519 0.77 PARP1 (0.54) HTR3AALDH1A1MASP2MEN1NUDT1
SCHEMBL2309386 0.75 OPRM1 (0.56) HTR3AALDH1A1MASP2MEN1NUDT1
SCHEMBL3489582 0.73 HTR3A (0.43) HTR3AALDH1A1MASP2MEN1NUDT1
SCHEMBL3489392 0.73 HTR3A (0.43) HTR3AALDH1A1MASP2MEN1NUDT1
SCHEMBL19399631 0.73 PARP1 (0.51) ALDH1A1MASP2MEN1NUDT1KMT2A
SCHEMBL3489823 0.72 AKT2 (0.43) HTR3AALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL665135 0.72 PARP1 (0.56) HTR3AALDH1A1MASP2MEN1NUDT1

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 6 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
EP-2125805-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO 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 456/4885ALDH1A1 4612/4885MASP2 4876/4885

“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.