SCHEMBL1618521

SCHEMBL1618521

c1ccc(CN2CCCCNC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.59
CXCR4 P61073 7/20 0.55
CYP2D6 P10635 3/20 0.53
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 2/20 0.50
HRH3 Q9Y5N1 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
ADRA2C P18825 1/20 0.50
CCR2 P41597 1/20 0.50
CXCL12 P48061 1/20 0.50
BLM P54132 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL28208414 0.95 CXCR4 (0.61) SIGMAR1CXCR4CYP2D6ALDH1A1MEN1
Pyrrolidine SCHEMBL15516038 0.87 SIGMAR1 (0.72) SIGMAR1CXCR4CYP2D6ALDH1A1MEN1
SCHEMBL26789 0.87 SIGMAR1 (0.78) SIGMAR1CXCR4CYP2D6ALDH1A1MEN1
SCHEMBL6632216 0.86 SIGMAR1 (0.82) SIGMAR1CXCR4CYP2D6ALDH1A1MEN1
Hydrochloric Acid SCHEMBL27713050 0.85 SIGMAR1 (0.75) SIGMAR1CXCR4CYP2D6ALDH1A1MEN1
SCHEMBL24271305 0.84 SIGMAR1 (0.79) SIGMAR1CXCR4ALDH1A1MEN1KMT2A
SCHEMBL3779720 0.83 CXCR4 (0.78) SIGMAR1CXCR4CYP2D6ALDH1A1MEN1
SCHEMBL27300143 0.83 SIGMAR1 (0.77) SIGMAR1CXCR4CYP2D6ALDH1A1MEN1
SCHEMBL15046526 0.81 CXCR4 (0.75) SIGMAR1CXCR4CYP2D6ALDH1A1MEN1
SCHEMBL13952 0.80 SIGMAR1 (0.81) SIGMAR1CYP2D6ALDH1A1HRH3CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2877463-B1 A PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA AS (DK) 2018-11-07 EP disclosed
US-9931329-B2 Phenyl triazole derivative and its use for modulating the GABAA receptor complex SANIONA A/S (DK) 2018-04-03 US disclosed
US-9884848-B2 Phenyl triazole derivative and its use for modulating the GABAA receptor complex SANIONA A/S (DK) 2018-02-06 US disclosed
EP-2885290-B1 A PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA AS (DK) 2017-10-18 EP disclosed
US-20170226072-A1 1,4-Disubstituted Piperidines, 1,4-Disubstituted Piperazines, 1,4-Disubstituted Diazepines, and 1,3-Disubstituted Pyrrolidine Compounds UNIV KENTUCKY RES FOUND (US) 2017-08-10 US disclosed
US-20170114045-A1 PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA AS (DK) 2017-04-27 US disclosed
US-9475797-B2 Phenyl triazole derivative and its use for modulating the GABAA receptor complex SANIONA A/S (DK) 2016-10-25 US disclosed
US-20160115155-A1 A PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA APS (DK) 2016-04-28 US disclosed
US-20160067234-A1 PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA APS (DK) 2016-03-10 US disclosed
US-20160031840-A1 1,4-Disubstituted Piperidines, 1,4-Disubstituted Piperazines, 1,4-Disubstituted Diazepines, and 1,3-Disubstituted Pyrrolidine Compounds UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2016-02-04 US disclosed
WO-2006108800-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-19 WO disclosed
US-20060148856-A1 Benzimidazole derivatives and their use for modulating the gabaa receptor complex ANIONA APS (DK) 2006-07-06 US disclosed
US-20060069135-A1 Benzimidazole derivatives and their use for modulating the gaba-a receptor complex NEUROSEARCH A/S (DK) 2006-03-30 US disclosed
EP-1613312-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA sb A /sb RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-01-11 EP disclosed
EP-1613618-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA- sb A /sb RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-01-11 EP disclosed
WO-2004087137-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2004-10-14 WO disclosed
WO-2004087690-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2004-10-14 WO disclosed
US-6040303-A NEUROKININ-RECEPTOR ANTAGONISTS, ANTIINFLAMMATORY AGENTS FOR TREATING GASTROINTESTINAL DISORDERS SOLVAY PHARMACEUTICALS GMBH (DE) 2000-03-21 US disclosed
WO-1997045422-A1 ANTI-NEURODEGENERATIVELY EFFECTIVE 10-AMINOALIPHATYL-DIBENZ[b,f]OXEPINE SALTS NOVARTIS AG (CH) 1997-12-04 WO disclosed
US-4788189-A Method to treat smoking withdrawal symptoms by potentiated central noradrenergic blocking GLAZER HOWARD I (US) 1988-11-29 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 (7 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-20060069135-A1 Benzimidazole derivatives and their use for modulating the gaba-a receptor complex GABRB2, GABRB1, GABRB3 SIGMAR1 232/4885CXCR4 1935/4885CYP2D6 1217/4885
US-20160067234-A1 PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB3, GABRB1, GABRA5 SIGMAR1 153/4885CXCR4 2187/4885CYP2D6 1489/4885
US-20170114045-A1 PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRA5, GABRB3, GABRB1 SIGMAR1 175/4885CXCR4 1254/4885CYP2D6 1239/4885
US-20160115155-A1 A PHENYL TRIAZOLE DERIVATIVE AND ITS USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB3, GABRB1, GABRB2 SIGMAR1 171/4885CXCR4 1310/4885CYP2D6 1673/4885
US-20160031840-A1 1,4-Disubstituted Piperidines, 1,4-Disubstituted Piperazines, 1,4-Disubstituted Diazepines, and 1,3-Disubstituted Pyrrolidine Compounds GRM1, BRD4, DRD1 SIGMAR1 1327/4885CXCR4 576/4885CYP2D6 1085/4885
US-20170226072-A1 1,4-Disubstituted Piperidines, 1,4-Disubstituted Piperazines, 1,4-Disubstituted Diazepines, and 1,3-Disubstituted Pyrrolidine Compounds GRM1, BRD4, DRD1 SIGMAR1 1327/4885CXCR4 576/4885CYP2D6 1085/4885
US-20060148856-A1 Benzimidazole derivatives and their use for modulating the gabaa receptor complex GABRB2, GABRB1, GABRB3 SIGMAR1 196/4885CXCR4 1877/4885CYP2D6 470/4885

“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.