SCHEMBL295814

SCHEMBL295814

CCCN(C(C)=O)C1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.51
KCNH2 Q12809 4/20 0.51
SLC6A2 P23975 13/20 0.47
SLC6A3 Q01959 6/20 0.47
PIK3CD O00329 1/20 0.38
GNAI3 P08754 2/20 0.35
GNAO1 P09471 2/20 0.35
GNAI1 P63096 2/20 0.35
EPHX1 P07099 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL10653802 0.89 SLC6A4 (0.54) SLC6A4KCNH2SLC6A2SLC6A3
Trifluoroacetic Acid SCHEMBL22797934 0.89 SLC6A4 (0.44) SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL18611275 0.86 PIK3CD (0.43) SLC6A4KCNH2SLC6A2SLC6A3PIK3CD
SCHEMBL297266 0.85 SLC6A4 (0.49) SLC6A4KCNH2SLC6A2SLC6A3PIK3CD
SCHEMBL13911314 0.84 ADH1A (0.44) SLC6A4KCNH2PIK3CD
SCHEMBL9144078 0.84 SLC6A4 (0.50) SLC6A4KCNH2SLC6A2SLC6A3SIGMAR1
Hydrochloric Acid SCHEMBL3740415 0.83 SLC6A4 (0.48) SLC6A4KCNH2SLC6A2SLC6A3PIK3CD
SCHEMBL19632137 0.83 SLC6A4 (0.43) SLC6A4KCNH2SLC6A2SLC6A3PIK3CD
SCHEMBL9462350 0.82 ADH1A (0.47) PIK3CD
SCHEMBL4281691 0.81 ADH1A (0.48) SLC6A4SLC6A2PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200982-B1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-03-14 EP disclosed
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 US disclosed
EP-2200982-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-30 EP disclosed
WO-2009033995-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-03-19 WO disclosed
US-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2009-03-19 US disclosed
EP-0897913-B1 4-carboxamido piperidine derivatives and their use as neurokinine antagonists ASTRAZENECA AB (SE) 2003-04-16 EP disclosed
EP-0667858-B1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LTD (GB) 1999-08-25 EP disclosed
EP-0897913-A1 4-carboxamido piperidine derivatives and their use as neurokinine antagonists ZENECA LIMITED (GB) 1999-02-24 EP disclosed
US-5576333-A ASTHMA TREATMENT ZENECA LIMITED (GB) 1996-11-19 US disclosed
US-5559132-A ANTAGONIST OF TACHYKININS AT THE NEUROKININ 2 RECEPTOR, ANTIASTHMA ZENECA LIMITED (GB) 1996-09-24 US disclosed
US-5559131-A ANTAGONISTS OF TACHYKININS AT THE NEUROKININ 2 RECEPTOR, ANTIASTHMA ZENECA LIMITED (GB) 1996-09-24 US disclosed
EP-0667858-A1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1995-08-23 EP disclosed
US-5391556-A Thrombin inhibitors KARL THOMAE GMBH (DE) 1995-02-21 US disclosed
WO-1994010146-A1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1994-05-11 WO disclosed
US-5214055-A Analgesics, psychological disorders, anxiolytic agents ADIR ET COMPAGNIE (FR) 1993-05-25 US disclosed
US-5189045-A Antiserotonine agent ADIR ET COMPAGNIE (FR) 1993-02-23 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-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 SLC6A4 201/4885KCNH2 43/4885SLC6A2 163/4885
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 SLC6A4 201/4885KCNH2 43/4885SLC6A2 163/4885

“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.