SCHEMBL3551860

SCHEMBL3551860

COC(=O)C1=CCCN(Cc2ccccc2)C1N

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
ATM Q13315 1/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.40
MITF O75030 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6640189 0.69 LMNA (0.54) KDM4EHSD17B10KMT2AMEN1SMN1; SMN2
SCHEMBL17068139 0.69 POLB (0.48) HSD17B10KMT2AMEN1ALDH1A1POLB
SCHEMBL20612845 0.69 POLB (0.48) HSD17B10KMT2AMEN1ALDH1A1POLB
SCHEMBL5195336 0.68 MAPT (0.43) KMT2AMEN1ATMCYP1A2SMN1; SMN2
SCHEMBL29561442 0.68 ALDH1A1 (0.45) HSD17B10ALDH1A1MAPT
SCHEMBL29046368 0.68 GAA (0.70) KDM4EHSD17B10KMT2AMEN1ATM
SCHEMBL15175511 0.68 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL31320073 0.68 HTR1A (0.41) KDM4EHSD17B10ALDH1A1LMNA
SCHEMBL31320067 0.68 HTR1A (0.41) KDM4EHSD17B10ALDH1A1LMNA
SCHEMBL2276952 0.67 FKBP1A (0.54) KDM4EKMT2AALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087485-A1 4-AMINOPIPERIDINE DERIVATIVES BOEHRINGER MARKUS 2010-04-08 US disclosed
US-7683079-B2 4-aminopiperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-23 US disclosed
US-20060135561-A1 4-Aminopiperidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-06-22 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 (2 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-20100087485-A1 4-AMINOPIPERIDINE DERIVATIVES DPP4, GPR119, IAPP KDM4E 317/4885HSD17B10 843/4885KMT2A 1871/4885
US-20060135561-A1 4-Aminopiperidine derivatives DPP4, GPR119, IAPP KDM4E 317/4885HSD17B10 843/4885KMT2A 1871/4885

“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.