SCHEMBL4305010

SCHEMBL4305010

Clc1cccc(CN(c2ccccc2)C2CCNCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.62
SLC6A2 P23975 13/20 0.56
SLC6A4 P31645 13/20 0.56
SLC6A3 Q01959 12/20 0.56
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
TACR1 P25103 3/20 0.51

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
SCHEMBL6431422 0.90 SLC6A2 (0.52) NOS2SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL4311545 0.88 TACR1 (0.53) NOS2SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL4309725 0.88 SLC6A2 (0.56) NOS2SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL4306256 0.87 SLC6A2 (0.53) NOS2SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL4308562 0.87 SLC6A2 (0.60) NOS2SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL4309799 0.87 SLC6A2 (0.63) NOS2SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL4306682 0.86 NOS2 (0.62) NOS2SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL4311464 0.85 SLC6A2 (0.55) NOS2SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL4320774 0.82 SLC6A2 (0.52) NOS2SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL13541682 0.81 SLC6A2 (0.56) NOS2SLC6A2SLC6A4SLC6A3CYP1A2

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-7488741-B2 4-Aminopiperidine derivatives, processes for their preparation and their use as medicaments UCB PHARMA, S.A. (BE) 2009-02-10 US disclosed
EP-1693061-A1 Use of 4-aminoderivatives for the preparation of a medicament for treating neurological diseases UCB, S.A. (BE) 2006-08-23 EP disclosed
EP-1556045-B1 4-AMINOPIPERIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS UCB SA (BE) 2006-08-02 EP disclosed
US-20060128753-A1 4-Aminopiperidine derivatives, processes for their preparation and their use as medicaments UCB, S.A. (BE) 2006-06-15 US disclosed
EP-1556045-A1 4-AMINOPIPERIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS UCB, S.A. (BE) 2005-07-27 EP disclosed
WO-2004030668-A1 4-AMINOPIPERIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS UCB, S.A. (BE) 2004-04-15 WO 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 (1 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-20060128753-A1 4-Aminopiperidine derivatives, processes for their preparation and their use as medicaments PNMT, HTR5A, HTR4 NOS2 1732/4885SLC6A2 112/4885SLC6A4 50/4885

“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.