SCHEMBL1969068

SCHEMBL1969068

COc1ccc(CCNC(C)C)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.67
POLB P06746 1/20 0.67
MAPT P10636 1/20 0.59
KCNH2 Q12809 1/20 0.59
KMT2A Q03164 1/20 0.58
CA2 P00918 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA9 Q16790 2/20 0.56
CA5A P35218 1/20 0.56
CA14 Q9ULX7 1/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 1/20 0.54
GLA P06280 1/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54

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 SCHEMBL7382800 0.87 ATM (0.55) ATMPOLBMAPTKCNH2KMT2A
Hydrochloric Acid SCHEMBL7348900 0.86 POLB (0.51) ATMPOLBMAPTKCNH2KMT2A
SCHEMBL9828864 0.84 KCNH2 (0.61) ATMPOLBMAPTKCNH2KMT2A
SCHEMBL9828855 0.84 KCNH2 (0.61) ATMPOLBMAPTKCNH2KMT2A
Hydrochloric Acid SCHEMBL11574811 0.83 ATM (0.63) ATMPOLBMAPTKCNH2KMT2A
SCHEMBL19334563 0.83 ATM (0.63) ATMPOLBMAPTKCNH2KMT2A
SCHEMBL7893820 0.82 KMT2A (0.67) ATMPOLBMAPTKMT2ACA2
SCHEMBL7435099 0.82 ATM (0.76) ATMPOLBMAPTKMT2ACA2
SCHEMBL9160396 0.82 KCNH2 (0.58) ATMPOLBMAPTKCNH2KMT2A
SCHEMBL9160205 0.82 ATM (0.59) ATMPOLBMAPTKCNH2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
US-11826350-B2 Proline-based neuropeptide FF receptor modulators RESEARCH TRIANGLE INSTITUTE (US) 2023-11-28 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
WO-2020086965-A9 POLYMER-LIPIDS AND COMPOSITIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-07-16 WO disclosed
US-20200030287-A1 PROLINE-BASED NEUROPEPTIDE FF RECEPTOR MODULATORS RESEARCH TRIANGLE INSTITUTE 2020-01-30 US disclosed
EP-2726459-B1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION BARUCH S BLUMBERG INST (US) 2019-09-11 EP disclosed
US-20170320818-A1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION UNIV DREXEL (US) 2017-11-09 US disclosed
US-8263659-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-11 US disclosed
US-8263659-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-11 US disclosed
US-7557143-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
EP-0775689-B9 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2004-09-15 EP disclosed
EP-0775689-B1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2003-09-03 EP disclosed
US-6057358-A POTASSIUM CHANNEL BLOCKING ANTIARRHYTHMIC DRUGS WITH LESS SIDE EFFECTS C&C RESEARCH LABS. (KR) 2000-05-02 US disclosed
EP-0852142-A1 Diamines in the treatment of arrhythmia SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1998-07-08 EP 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-5028256-A Metolachlor and an acylamide compound, for maize or sorghum CIBA-GEIGY CORPORATION (US) 1991-07-02 US disclosed
US-4897109-A ACYLAMINE DERIVATIVE CIBA-GEIGY CORPORATION (US) 1990-01-30 US disclosed
EP-0163607-B1 MEANS FOR THE PROTECTION OF CULTURE PLANTS AGAINST THE PHYTOTOXIC ACTION OF CHLORACETANILIDE HERBICIDES CIBA-GEIGY AG (CH) 1989-11-08 EP disclosed
EP-0163607-A2 Means for the protection of culture plants against the phytotoxic action of chloracetanilide herbicides CIBA-GEIGY AG (CH) 1985-12-04 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-20200030287-A1 PROLINE-BASED NEUROPEPTIDE FF RECEPTOR MODULATORS NPFFR1, NPFFR2, NPBWR1 ATM 4858/4885POLB 4365/4885MAPT 3204/4885
US-20170320818-A1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION ALKBH5, SULT1A1, SHMT1 ATM 4885/4885POLB 248/4885MAPT 4325/4885
US-11826350-B2 Proline-based neuropeptide FF receptor modulators NPFFR1, NPFFR2, NPBWR1 ATM 4858/4885POLB 4365/4885MAPT 3204/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE ATM 3657/4885POLB 2140/4885MAPT 4460/4885

“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.