SCHEMBL678162

SCHEMBL678162

CN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 1.00
TP53 P04637 2/20 1.00
CYP1A2 P05177 2/20 1.00
CYP2D6 P10635 2/20 1.00
TSHR P16473 2/20 1.00
GRIN2D O15399 1/20 0.97
GRIN3B O60391 1/20 0.97
CYP3A4 P08684 1/20 0.97
GRIN1 Q05586 1/20 0.97
GRIN2A Q12879 1/20 0.97
GRIN2B Q13224 1/20 0.97
GRIN2C Q14957 1/20 0.97
GRIN3A Q8TCU5 1/20 0.97

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
SCHEMBL12648455 0.99 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP2D6TSHR
Bromide SCHEMBL467371 0.99 SIGMAR1 (0.97) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL467014 0.83 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL5804316 0.80 SIGMAR1 (0.93) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL2132007 0.79 SIGMAR1 (0.65) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL5935280 0.78 SIGMAR1 (0.80) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL7536460 0.78 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL16992736 0.78 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL5935249 0.77 SIGMAR1 (0.79) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL6961777 0.77 SIGMAR1 (0.76) SIGMAR1TP53CYP1A2CYP2D6TSHR

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025233557-A1 SIGMA-1 RECEPTOR INHIBITING AGENTS FOR TREATING RHEUMATOID ARTHRITIS UNIVERSIDAD DE GRANADA (ES) 2025-11-13 WO claimed
WO-1992022279-A2 N-[ARYLETHYL]-N-ALKYL-2-(1-PYRROLIDINYL)ETHYLAMINE DERIVATIVES FOR CNS DISORDERS G.D. SEARLE & CO. (US) 1992-12-23 WO claimed
EP-0518216-A2 N-/Arylethyl/-N-alkyl-2-(1-pyrrolidinyl)ethylamine derivatives for CNS disorders G.D. Searle & Co. (US) 1992-12-16 EP claimed
WO-2025233557-A1 SIGMA-1 RECEPTOR INHIBITING AGENTS FOR TREATING RHEUMATOID ARTHRITIS UNIVERSIDAD DE GRANADA (ES) 2025-11-13 WO disclosed
US-20220244263-A1 METHODS FOR TREATING SMALL CELL NEUROENDOCRINE AND RELATED CANCERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-08-04 US disclosed
US-20210379016-A1 THERAPEUTICS AND METHODS OF TREATMENT OF ANGIOTENSIN-CONVERTING ENZYME 2 ASSOCIATED CONDITIONS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2021-12-09 US disclosed
WO-2016138135-A1 SIGMA-1 RECEPTOR MODULATORS FOR TREATING HUNTINGTON'S DISEASE TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2016-09-01 WO disclosed
EP-2446276-B9 METHODS FOR DETERMINING THE ONCOGENIC CONDITION OF CELL, USES THEREOF, AND METHODS FOR TREATING CANCER INSERM INST NAT DE LA SANTÉ ET DE LA RECH MÉDICALE (FR) 2016-05-04 EP disclosed
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
EP-2446276-B1 METHODS FOR DETERMINING THE ONCOGENIC CONDITION OF CELL, USES THEREOF, AND METHODS FOR TREATING CANCER INSERM INST NAT DE LA SANTÉ ET DE LA RECH MÉDICALE (FR) 2014-08-20 EP disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20070208029-A1 MODULATION OF NEUROGENESIS BY PDE INHIBITION BRAINCELLS, INC. (US) 2007-09-06 US disclosed
US-20070112017-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2007-05-17 US disclosed
WO-2007053596-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2007-05-10 WO disclosed
WO-2007047978-A2 MODULATION OF NEUROGENESIS BY PDE INHIBITION BRAINCELLS, INC. (US) 2007-04-26 WO disclosed
US-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION BRAINCELLS, INC. (US) 2007-04-05 US disclosed
WO-2007030697-A2 MODULATION OF NEUROGENESIS BY HDAC INHIBITION BRAINCELLS, INC. (US) 2007-03-15 WO disclosed
WO-2002030422-A1 USE OF DEFINED SUBSTANCES THAT BIND TO THE SIGMA RECEPTOR FOR COMBATING SARCOMA AND CARCINOMA MERCK PATENT GMBH (DE) 2002-04-18 WO disclosed
WO-1992022279-A2 N-[ARYLETHYL]-N-ALKYL-2-(1-PYRROLIDINYL)ETHYLAMINE DERIVATIVES FOR CNS DISORDERS G.D. SEARLE & CO. (US) 1992-12-23 WO disclosed
EP-0518216-A2 N-/Arylethyl/-N-alkyl-2-(1-pyrrolidinyl)ethylamine derivatives for CNS disorders G.D. Searle & Co. (US) 1992-12-16 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-20070112017-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS GABRB2, GAP43, GABRB1 SIGMAR1 432/4885TP53 3906/4885CYP1A2 4816/4885
US-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION DCX, BDNF, NTRK2 SIGMAR1 2502/4885TP53 2418/4885CYP1A2 4835/4885
US-20210379016-A1 THERAPEUTICS AND METHODS OF TREATMENT OF ANGIOTENSIN-CONVERTING ENZYME 2 ASSOCIATED CONDITIONS ACE2, ACE, AGTR2 SIGMAR1 10/4885TP53 3983/4885CYP1A2 67/4885
US-20070208029-A1 MODULATION OF NEUROGENESIS BY PDE INHIBITION PDE2A, PDE4A, DCX SIGMAR1 2685/4885TP53 3944/4885CYP1A2 4681/4885

“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.