SCHEMBL3548874

SCHEMBL3548874

O=C1C(c2ccccc2)/C(=N/O)CCN1CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SIGMAR1 Q99720 9/20 0.42
OPRM1 P35372 7/20 0.42
KCNH2 Q12809 5/20 0.42
PTGER4 P35408 1/20 0.40
PTGER2 P43116 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTR2A P28223 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL3548876 1.00 HDAC1 (0.42) HDAC1HDAC8HDAC6SIGMAR1OPRM1
SCHEMBL3553167 0.82 SIGMAR1 (0.46) HDAC1HDAC8HDAC6SIGMAR1OPRM1
SCHEMBL10752221 0.69 HDAC1 (0.45) HDAC1HDAC8HDAC6SIGMAR1OPRM1
SCHEMBL11513541 0.69 NPC1 (0.58) SIGMAR1GAAHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL7937361 0.68 HDAC1 (0.48) HDAC1HDAC8HDAC6SIGMAR1OPRM1
Hydrochloric Acid SCHEMBL7927437 0.68 HDAC1 (0.48) HDAC1HDAC8HDAC6SIGMAR1OPRM1
Hydrochloric Acid SCHEMBL7927508 0.68 HDAC1 (0.48) HDAC1HDAC8HDAC6SIGMAR1OPRM1
SCHEMBL20347981 0.68 DDB1 (0.54) ALDH1A1GAAMEN1KMT2A
SCHEMBL22623804 0.67 DDB1 (0.71) SIGMAR1ALDH1A1GAAHTTMEN1
SCHEMBL17144454 0.67 HDAC1 (0.50) HDAC1HDAC8HDAC6SIGMAR1OPRM1

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 5 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
EP-1831165-A1 4-AMINOPIPERIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
WO-2006066747-A1 4-AMINOPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO 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 HDAC1 1410/4885HDAC8 3144/4885HDAC6 3257/4885
US-20060135561-A1 4-Aminopiperidine derivatives DPP4, GPR119, IAPP HDAC1 1410/4885HDAC8 3144/4885HDAC6 3257/4885

“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.