SCHEMBL234072

SCHEMBL234072

CNCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.67
TAAR1 Q96RJ0 5/20 0.61
PNMT P11086 1/20 0.55
MAPT P10636 3/20 0.55
CYP1A2 P05177 3/20 0.55
TP53 P04637 2/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
MAPK1 P28482 1/20 0.55
THPO P40225 1/20 0.55
HIF1A Q16665 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GMNN O75496 1/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
BLM P54132 1/20 0.53
GFER P55789 1/20 0.53

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
SCHEMBL4714762 0.88 SIGMAR1 (0.63) SIGMAR1TAAR1PNMTMAPTCYP1A2
SCHEMBL23137077 0.82 TAAR1 (0.55) SIGMAR1TAAR1MAPTCYP1A2TP53
SCHEMBL12168011 0.80 SIGMAR1 (0.66) SIGMAR1TAAR1PNMTMAPTCYP1A2
SCHEMBL4094631 0.80 POLB (0.72) SIGMAR1TAAR1MAPTCYP1A2TP53
SCHEMBL19026642 0.79 SIGMAR1 (0.59) SIGMAR1TAAR1PNMTMAPTCYP1A2
SCHEMBL11445111 0.79 SIGMAR1 (0.65) SIGMAR1TAAR1PNMTMAPTCYP1A2
SCHEMBL23583427 0.79 CYP1A2 (0.57) SIGMAR1PNMTCYP1A2ALOX15TSHR
SCHEMBL11279010 0.79 SIGMAR1 (0.69) SIGMAR1TAAR1PNMTMAPTCYP1A2
SCHEMBL14438281 0.79 SIGMAR1 (0.54) SIGMAR1TAAR1PNMTMAPTCYP1A2
SCHEMBL298380 0.78 SLC6A4 (0.67) SIGMAR1TAAR1PNMTCYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250537-A Treating psychoses SCIOS NOVA INC. (US) 1993-10-05 US claimed
US-20230127965-A1 METHODS FOR TREATING, AMELIORATING, OR PREVENTING VIRAL INFECTIONS UNIV JEFFERSON (US) 2023-04-27 US disclosed
US-9889102-B2 Sigma receptor ligands and methods of modulating cellular protein homeostasis using same DREXEL UNIVERSITY (US) 2018-02-13 US disclosed
US-20160361279-A1 NOVEL SIGMA RECEPTOR LIGANDS AND METHODS OF MODULATING CELLULAR PROTEIN HOMEOSTASIS USING SAME Philadelphia Health And Education Corporation, d/b/a Drexel University College of Medicine 2016-12-15 US disclosed
US-20160361279-A1 NOVEL SIGMA RECEPTOR LIGANDS AND METHODS OF MODULATING CELLULAR PROTEIN HOMEOSTASIS USING SAME Philadelphia Health And Education Corporation, d/b/a Drexel University College of Medicine 2016-12-15 US disclosed
US-9388126-B2 Sigma receptor ligands and methods of modulating cellular protein homeostasis using same DREXEL UNIVERSITY (US) 2016-07-12 US disclosed
US-9388126-B2 Sigma receptor ligands and methods of modulating cellular protein homeostasis using same DREXEL UNIVERSITY (US) 2016-07-12 US disclosed
US-9133145-B2 Methods of use of inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBVIE INC. (US) 2015-09-15 US disclosed
US-20150166472-A1 NOVEL SIGMA RECEPTOR LIGANDS AND METHODS OF MODULATING CELLULAR PROTEIN HOMEOSTASIS USING SAME DREXEL UNIVERSITY 2015-06-18 US disclosed
US-20150166472-A1 NOVEL SIGMA RECEPTOR LIGANDS AND METHODS OF MODULATING CELLULAR PROTEIN HOMEOSTASIS USING SAME DREXEL UNIVERSITY 2015-06-18 US disclosed
US-6057358-A POTASSIUM CHANNEL BLOCKING ANTIARRHYTHMIC DRUGS WITH LESS SIDE EFFECTS C&C RESEARCH LABS. (KR) 2000-05-02 US disclosed
EP-0775689-A1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RESEARCH LABS. (KR) 1997-05-28 EP disclosed
US-5250537-A Treating psychoses SCIOS NOVA INC. (US) 1993-10-05 US disclosed
EP-0231003-B1 BASIC SUBSTITUTED PHENYLACETONITRILES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM BASF Aktiengesellschaft (DE) 1993-04-07 EP disclosed
US-4968717-A SEROTONIN-AND CALCIUM-ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed
EP-0231003-A2 Basic substituted phenylacetonitriles, their preparation and medicaments containing them BASF Aktiengesellschaft (DE) 1987-08-05 EP disclosed
EP-0065229-B1 BENZAZEPINES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS PHARMACEUTICAL PREPARATIONS Dr. Karl Thomae GmbH (DE) 1985-08-07 EP disclosed
US-4490369-A HYPOTENSIVE, BRRADYCARDIAL DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-12-25 US disclosed
EP-0065229-A1 Benzazepines, process for their preparation and their application as pharmaceutical preparations Dr. Karl Thomae GmbH (DE) 1982-11-24 EP disclosed
US-4338453-A Aminoalkyl-1,2,4-triazoles THE UPJOHN COMPANY (US) 1982-07-06 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 (3 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-20150166472-A1 NOVEL SIGMA RECEPTOR LIGANDS AND METHODS OF MODULATING CELLULAR PROTEIN HOMEOSTASIS USING SAME TMEM97, SIGMAR1, ADRM1 SIGMAR1 2/4885TAAR1 457/4885PNMT 2319/4885
US-20230127965-A1 METHODS FOR TREATING, AMELIORATING, OR PREVENTING VIRAL INFECTIONS TMEM97, SIGMAR1, OPRL1 SIGMAR1 2/4885TAAR1 128/4885PNMT 380/4885
US-20160361279-A1 NOVEL SIGMA RECEPTOR LIGANDS AND METHODS OF MODULATING CELLULAR PROTEIN HOMEOSTASIS USING SAME TMEM97, SIGMAR1, ADRM1 SIGMAR1 2/4885TAAR1 482/4885PNMT 2326/4885

“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.