SCHEMBL16992736

SCHEMBL16992736

C=CCN(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 0.63
CYP1A2 P05177 2/20 0.63
CYP2D6 P10635 2/20 0.63
TSHR P16473 2/20 0.63
GRIN2D O15399 1/20 0.62
GRIN3B O60391 1/20 0.62
CYP3A4 P08684 1/20 0.62
GRIN1 Q05586 1/20 0.62
GRIN2A Q12879 1/20 0.62
GRIN2B Q13224 1/20 0.62
GRIN2C Q14957 1/20 0.62
GRIN3A Q8TCU5 1/20 0.62

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
SCHEMBL467014 0.83 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL678162 0.78 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP2D6TSHR
Bromide SCHEMBL467371 0.76 SIGMAR1 (0.97) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL12648455 0.76 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL5804316 0.75 SIGMAR1 (0.93) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL6961777 0.72 SIGMAR1 (0.76) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL9710088 0.69 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL5756639 0.68 SIGMAR1 (0.65) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL7401434 0.67 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL6795896 0.66 POLB (0.96) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3104847-B1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS MTA TAMOGATOTT KUTATOCSOPORTOK IRODAJA (HU) 2020-11-11 EP claimed
CN-106456578-B Use of SIGMA-1 receptor agonist compounds 匈牙利科学院大学及其他机构附属研究所 2020-02-18 CN claimed
EP-3104847-A1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS Mta Támogatott Kutatócsoportok Irodája (HU) 2016-12-21 EP claimed
US-20160346290-A1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS TÁMOGATOTT KUTATÓCSOPORTOK IRODÁJA (HU) 2016-12-01 US claimed
WO-2015118365-A1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS MTA TÁMOGATOTT KUTATÓCSOPORTOK IRODÁJA (HU) 2015-08-13 WO claimed
EP-4124338-A1 SIGMA-1 RECEPTOR ACTIVATOR FOR USE IN THE TREATMENT OF A PATHOLOGY ASSOCIATED WITH WFS1 MUTATION Université de Montpellier (FR) 2023-02-01 EP disclosed
US-10842794-B2 Use of Sigma-1 receptor agonist compounds TÁMOGATOTT KUTATÓCSOPORTOK IRODÁJA (HU) 2020-11-24 US disclosed
US-10842794-B2 Use of Sigma-1 receptor agonist compounds TÁMOGATOTT KUTATÓCSOPORTOK IRODÁJA (HU) 2020-11-24 US disclosed
EP-3104847-B1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS MTA TAMOGATOTT KUTATOCSOPORTOK IRODAJA (HU) 2020-11-11 EP disclosed
EP-3104847-B1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS MTA TAMOGATOTT KUTATOCSOPORTOK IRODAJA (HU) 2020-11-11 EP disclosed
CN-106456578-B Use of SIGMA-1 receptor agonist compounds 匈牙利科学院大学及其他机构附属研究所 2020-02-18 CN disclosed
US-20190209575-A1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS SigmaDrugs Kft. (HU) 2019-07-11 US disclosed
US-20190209575-A1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS SigmaDrugs Kft. (HU) 2019-07-11 US disclosed
US-10124006-B2 Use of Sigma-1 receptor agonist compounds MTA Tämogatott Kutatócsoportok Irodája (HU) 2018-11-13 US disclosed
US-20160346290-A1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS TÁMOGATOTT KUTATÓCSOPORTOK IRODÁJA (HU) 2016-12-01 US disclosed
US-20160346290-A1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS TÁMOGATOTT KUTATÓCSOPORTOK IRODÁJA (HU) 2016-12-01 US disclosed
US-20160346290-A1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS TÁMOGATOTT KUTATÓCSOPORTOK IRODÁJA (HU) 2016-12-01 US disclosed
WO-2015118365-A1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS MTA TÁMOGATOTT KUTATÓCSOPORTOK IRODÁJA (HU) 2015-08-13 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 (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-10124006-B2 Use of Sigma-1 receptor agonist compounds SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885TP53 4838/4885CYP1A2 760/4885
US-20190209575-A1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS SIGMAR1, TMEM97, OPRK1 SIGMAR1 1/4885TP53 4851/4885CYP1A2 992/4885
US-20160346290-A1 NOVEL USE OF SIGMA-1 RECEPTOR AGONIST COMPOUNDS SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885TP53 4862/4885CYP1A2 896/4885
US-10842794-B2 Use of Sigma-1 receptor agonist compounds SIGMAR1, TMEM97, OPRK1 SIGMAR1 1/4885TP53 4822/4885CYP1A2 995/4885

“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.