SCHEMBL3557491

SCHEMBL3557491

CCCCC1CNCCC1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
HTR2B P41595 3/20 0.33
TP53 P04637 1/20 0.33
CYP19A1 P11511 1/20 0.32
TLR4 O00206 1/20 0.32
CYP1A2 P05177 2/20 0.32
TDP1 Q9NUW8 1/20 0.30

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
Iodide SCHEMBL3624774 0.93 CYP1A2 (0.37) HSD17B10ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL5988216 0.80
Hydrochloric Acid SCHEMBL6331328 0.79 HTR2A (0.42) HTR2AHTR2CHTR2B
SCHEMBL19908546 0.78 HTR2C (0.31) HTR2C
SCHEMBL2691796 0.74
SCHEMBL27741990 0.72
SCHEMBL20767216 0.72
SCHEMBL20156542 0.72
SCHEMBL28333223 0.72
SCHEMBL13674457 0.71 HTR2A (0.32) HTR2AHTR2CHTR2B

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-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
CN-101090888-A 4-aminopiperidine derivatives HOFFMANN LA ROCHE (CH) 2007-12-19 CN 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 HSD17B10 843/4885MEN1 3888/4885KMT2A 1871/4885
US-20060135561-A1 4-Aminopiperidine derivatives DPP4, GPR119, IAPP HSD17B10 843/4885MEN1 3888/4885KMT2A 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.