SCHEMBL4925296

SCHEMBL4925296

Clc1cccc(N2CCCNCC2)c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.87
HTR6 P50406 4/20 0.87
HTR3A P46098 4/20 0.87
HTR1A P08908 3/20 0.87
HTR7 P34969 3/20 0.87
HTR3E A5X5Y0 3/20 0.87
HTR3B O95264 3/20 0.87
HTR3D Q70Z44 3/20 0.87
HTR3C Q8WXA8 3/20 0.87
HTR2A P28223 2/20 0.87
HTR2B P41595 2/20 0.87
SIGMAR1 Q99720 2/20 0.87
TP53 P04637 1/20 0.87
CYP1A2 P05177 1/20 0.87
CYP3A4 P08684 1/20 0.87
CYP2D6 P10635 1/20 0.87
THRB P10828 1/20 0.87
CYP2C9 P11712 1/20 0.87
HTR2C P28335 1/20 0.87
SLC6A4 P31645 1/20 0.87

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
Chlorophenylpiperazine SCHEMBL48931 0.93 ADRB1 (1.00) ADRB1HTR6HTR3AHTR1AHTR7
Chlorophenylpiperazine SCHEMBL8317392 0.93 ADRB1 (1.00) ADRB1HTR6HTR3AHTR1AHTR7
Chlorophenylpiperazine SCHEMBL29361195 0.93 ADRB1 (1.00) ADRB1HTR6HTR3AHTR1AHTR7
Chlorophenylpiperazine SCHEMBL30914177 0.91 ADRB1 (0.96) ADRB1HTR6HTR3AHTR1AHTR7
Chlorophenylpiperazine SCHEMBL264300 0.91 ADRB1 (0.96) ADRB1HTR6HTR3AHTR1AHTR7
Chlorophenylpiperazine SCHEMBL27684638 0.91 ADRB1 (0.96) ADRB1HTR6HTR3AHTR1AHTR7
Chlorophenylpiperazine SCHEMBL20500310 0.91 ADRB1 (0.96) ADRB1HTR6HTR3AHTR1AHTR7
Chlorophenylpiperazine SCHEMBL1320253 0.91 ADRB1 (0.96) ADRB1HTR6HTR3AHTR1AHTR7
Chlorophenylpiperazine SCHEMBL9070642 0.90 ADRB1 (0.93) ADRB1HTR6HTR3AHTR1AHTR7
Chlorophenylpiperazine SCHEMBL8523218 0.87 ADRB1 (0.87) ADRB1HTR6HTR3AHTR1AHTR7

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-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US disclosed
US-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 US disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
EP-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 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 (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-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 ADRB1 1852/4885HTR6 1645/4885HTR3A 1634/4885
US-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 ADRB1 241/4885HTR6 3050/4885HTR3A 3772/4885

“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.