SCHEMBL3558326

SCHEMBL3558326

CCOC(=O)C(C)NCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
SIGMAR1 Q99720 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
TSHR P16473 1/20 0.50
MMP8 P22894 1/20 0.49
MAPT P10636 4/20 0.48
OPRK1 P41145 1/20 0.47

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
SCHEMBL8364852 0.88 KMT2A (0.46) SMN1; SMN2MEN1KMT2AMMP8ALDH1A1
SCHEMBL7733774 0.87 MAPT (0.55) SIGMAR1MEN1KMT2ATSHRMAPT
SCHEMBL7733778 0.87 MAPT (0.55) SIGMAR1MEN1KMT2ATSHRMAPT
SCHEMBL22769344 0.86 HDAC3 (0.51) SMN1; SMN2SIGMAR1MEN1KMT2AHDAC3
SCHEMBL30929593 0.84 SMN1; SMN2 (0.53) SMN1; SMN2SIGMAR1MEN1KMT2AMMP8
SCHEMBL1878485 0.84 SMN1; SMN2 (0.53) SMN1; SMN2SIGMAR1MEN1KMT2AMMP8
SCHEMBL1878484 0.84 SMN1; SMN2 (0.53) SMN1; SMN2SIGMAR1MEN1KMT2AMMP8
Hydrochloric Acid SCHEMBL27396543 0.83 SMN1; SMN2 (0.51) SMN1; SMN2SIGMAR1MEN1KMT2AMMP8
Hydrochloric Acid SCHEMBL27723691 0.83 SMN1; SMN2 (0.51) SMN1; SMN2SIGMAR1MEN1KMT2AMMP8
SCHEMBL21275440 0.82 SMN1; SMN2 (0.68) SMN1; SMN2MEN1KMT2AHDAC3HDAC4

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 SMN1; SMN2 2081/4885SIGMAR1 119/4885MEN1 3888/4885
US-20060135561-A1 4-Aminopiperidine derivatives DPP4, GPR119, IAPP SMN1; SMN2 2081/4885SIGMAR1 119/4885MEN1 3888/4885

“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.