Piperidine

Piperidine

SCHEMBL4434690

C1CCNCC1.CCCS(=O)(=O)O

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.32
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
NFKB1 P19838 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA6 Q16445 1/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
SLC6A6 P31641 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 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
Aziridine SCHEMBL29141899 0.91 TSHR (0.43) ALDH1A1TSHRMEN1KMT2ALMNA
Piperazine SCHEMBL8991321 0.89 TSHR (0.42) ALDH1A1TSHRMEN1KMT2ALMNA
Piperidine SCHEMBL17338044 0.88 APP (0.37) ALDH1A1TSHRMEN1KMT2ALMNA
Piperazine SCHEMBL28077828 0.86 TSHR (0.41) ALDH1A1TSHRMEN1KMT2ALMNA
Piperidine SCHEMBL4297330 0.86 ALDH1A1 (0.47) ALDH1A1TSHRMEN1KMT2ALMNA
Cyclohexane SCHEMBL6740252 0.86 PTGS1 (0.41) TSHRMEN1KMT2ALMNAPTGS1
Pyrrolidine SCHEMBL6048631 0.85 APP (0.38) ALDH1A1TSHRMEN1KMT2ALMNA
Piperazine SCHEMBL28182579 0.84 TSHR (0.39) ALDH1A1TSHRMEN1KMT2ALMNA
Piperidine SCHEMBL9509520 0.84 EPHX2 (0.44)
Piperidine SCHEMBL29554180 0.80 ALDH1A1 (0.41) ALDH1A1TSHRLMNACYP3A4GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739334-A1 BIOMOLECULE SOLUBILISATION AGENTS CONSISTING OF NON-DETERGENT ZWITTERIONS, AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1996-10-30 EP claimed
WO-1995019339-A1 BIOMOLECULE SOLUBILISATION AGENTS CONSISTING OF NON-DETERGENT ZWITTERIONS, AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1995-07-20 WO claimed
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES APODACA RICHARD 2009-10-22 US disclosed
US-20050288323-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine APODACA RICHARD 2005-12-29 US disclosed
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine APODACA RICHARD (US) 2004-08-26 US disclosed
EP-1326863-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-16 EP disclosed
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
WO-2002024695-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-28 WO disclosed
EP-0241292-A2 4-substituted octahydroquinolizine analgesic compounds and octahydroquinolizinium intermediates McNeilab, Inc. (US) 1987-10-14 EP 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 (4 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-20050288323-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 ALDH1A1 3059/4885TSHR 2617/4885MEN1 2270/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 ALDH1A1 3059/4885TSHR 2617/4885MEN1 2270/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 ALDH1A1 3059/4885TSHR 2617/4885MEN1 2270/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 ALDH1A1 2994/4885TSHR 2532/4885MEN1 2116/4885

“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.