SCHEMBL3553167

SCHEMBL3553167

O=C1CCN(CCc2ccccc2)C(=O)C1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.46
OPRM1 P35372 7/20 0.46
KCNH2 Q12809 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41

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
SCHEMBL20347981 0.85 DDB1 (0.54) ALDH1A1GAAMEN1KMT2ADDB1
SCHEMBL3548876 0.82 HDAC1 (0.42) SIGMAR1OPRM1KCNH2SMN1; SMN2ALDH1A1
SCHEMBL3548874 0.82 HDAC1 (0.42) SIGMAR1OPRM1KCNH2SMN1; SMN2ALDH1A1
SCHEMBL20347991 0.80 LMNA (0.44) SIGMAR1OPRM1KCNH2SMN1; SMN2ALDH1A1
SCHEMBL10752221 0.77 HDAC1 (0.45) SIGMAR1OPRM1KCNH2SMN1; SMN2ALDH1A1
SCHEMBL20347397 0.74 SRD5A1 (0.44) ALDH1A1MAPK1KMT2AHTR2B
SCHEMBL11513541 0.74 NPC1 (0.58) SIGMAR1GAAHTTMEN1KMT2A
SCHEMBL20347759 0.73 GAA (0.55) SIGMAR1OPRM1GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL7927508 0.73 HDAC1 (0.48) SIGMAR1OPRM1KCNH2SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7937361 0.73 HDAC1 (0.48) SIGMAR1OPRM1KCNH2SMN1; SMN2ALDH1A1

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 SIGMAR1 119/4885OPRM1 892/4885KCNH2 928/4885
US-20060135561-A1 4-Aminopiperidine derivatives DPP4, GPR119, IAPP SIGMAR1 119/4885OPRM1 892/4885KCNH2 928/4885

“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.