SCHEMBL3385674

SCHEMBL3385674

Clc1ccc(C2CCNCC2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.52
SLC6A4 P31645 3/20 0.52
HTR1A P08908 2/20 0.52
SLC6A3 Q01959 2/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR3A P46098 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
KCNH2 Q12809 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTR6 P50406 5/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
AGTR1 P30556 1/20 0.45
HTR2C P28335 3/20 0.44

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
Hydrochloric Acid SCHEMBL4886168 0.98 SLC6A2 (0.51) SLC6A2SLC6A4HTR1ASLC6A3MAPK1
SCHEMBL1821018 0.89 HTR3A (0.58) SLC6A2SLC6A4HTR1ASLC6A3MAPK1
SCHEMBL433540 0.86 GAA (0.52) CHRNB2CHRNA4GAATSHRAGTR1
Trifluoroacetic Acid SCHEMBL5669615 0.85 DPP4 (0.43) SLC6A2SLC6A4HTR1ASLC6A3MAPK1
SCHEMBL4974123 0.85 SLC6A2 (0.52) SLC6A2SLC6A4HTR1ASLC6A3MAPK1
SCHEMBL432639 0.82 GAA (0.58) GAATSHRAGTR1HTR2C
SCHEMBL432356 0.82 GAA (0.53) CHRNB2CHRNA4GAATSHRAGTR1
SCHEMBL29932045 0.81 SLC6A2 (0.51) SLC6A2SLC6A4HTR1ASLC6A3HTR3A
SCHEMBL3386544 0.81 SLC6A2 (0.52) SLC6A2SLC6A4HTR1ASLC6A3KCNH2
SCHEMBL5584494 0.81 HTR2C (0.58) SLC6A2SLC6A4HTR1ASLC6A3HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963268-B1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2010-12-01 EP claimed
US-20080269286-A1 Disubstituted Phenylpiperidines as Modulators of Cortical Catecholaminergic Neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2008-10-30 US claimed
EP-1963268-B1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2010-12-01 EP disclosed
US-7544680-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-09 US disclosed
US-20080287422-A1 Constrained Compounds as CGRP-Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2008-11-20 US disclosed
US-20080269286-A1 Disubstituted Phenylpiperidines as Modulators of Cortical Catecholaminergic Neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2008-10-30 US disclosed
US-7384930-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 US disclosed
US-7384931-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 US disclosed
WO-2008059214-A1 BISAMLDE DERIVATIVES AND USE THEREOF AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-22 WO disclosed
WO-2007130860-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 WO disclosed
EP-1809633-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS Brystol-Myers Squibb Company (US) 2007-07-25 EP disclosed
US-20060229447-A1 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-10-12 US disclosed
WO-2006052378-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-18 WO disclosed
US-20060094707-A1 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-05-04 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 (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-20060229447-A1 Constrained compounds as CGRP-receptor antagonists CALCR, BDKRB2, CALCRL SLC6A2 1974/4885SLC6A4 2592/4885HTR1A 201/4885
US-20060094707-A1 Constrained compounds as CGRP-receptor antagonists CALCR, BDKRB2, CALCRL SLC6A2 1974/4885SLC6A4 2592/4885HTR1A 201/4885
US-20080269286-A1 Disubstituted Phenylpiperidines as Modulators of Cortical Catecholaminergic Neurotransmission SLC6A2, SLC18A2, PNMT SLC6A2 1/4885SLC6A4 15/4885HTR1A 53/4885
US-20080287422-A1 Constrained Compounds as CGRP-Receptor Antagonists CALCR, BDKRB2, CALCRL SLC6A2 1974/4885SLC6A4 2592/4885HTR1A 201/4885

“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.