SCHEMBL1010758

SCHEMBL1010758

NCCCOc1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.52
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
DRD3 P35462 2/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
AOC2 O75106 1/20 0.47
DAO P14920 1/20 0.47
MAOA P21397 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
Hydrochloric Acid SCHEMBL4377848 0.98 MAOB (0.55) MAOBDRD2DRD4DRD3MEN1
SCHEMBL15923247 0.91 MEN1 (0.54) MAOBMEN1LMNAHTTKMT2A
SCHEMBL7972309 0.91 MEN1 (0.54) MAOBMEN1LMNAHTTKMT2A
SCHEMBL322907 0.88 TAAR1 (0.60) MAOBDRD2DRD4DRD3CYP1A2
SCHEMBL991452 0.88 TAAR1 (0.56) TAAR1
SCHEMBL27972500 0.88 MAOB (0.46) MAOBDRD2DRD4DRD3MEN1
Hydrochloric Acid SCHEMBL321866 0.86 TAAR1 (0.58) MAOBMEN1LMNAKMT2ACYP1A2
SCHEMBL10338308 0.85 MEN1 (0.60) DRD2DRD4DRD3MEN1LMNA
Hydrochloric Acid SCHEMBL6258205 0.85 TAAR1 (0.54) TAAR1
SCHEMBL9114592 0.83 CYP1A2 (0.63) MAOBDRD2DRD4DRD3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127965-A1 METHODS FOR TREATING, AMELIORATING, OR PREVENTING VIRAL INFECTIONS UNIV JEFFERSON (US) 2023-04-27 US disclosed
US-20200087730-A1 METHODS OF IDENTIFYING AND TREATING TUMORS WITH SIGMA1 INHIBITORS UNIV DREXEL (US) 2020-03-19 US disclosed
US-10314795-B2 Sigma receptor ligands and methods of modulating cellular protein homeostasis using same DREXEL UNIVERSITY (US) 2019-06-11 US disclosed
US-10314795-B2 Sigma receptor ligands and methods of modulating cellular protein homeostasis using same DREXEL UNIVERSITY (US) 2019-06-11 US disclosed
US-20180235910-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 2018-08-23 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-9889102-B2 Sigma receptor ligands and methods of modulating cellular protein homeostasis using same DREXEL UNIVERSITY (US) 2018-02-13 US disclosed
WO-2017106312-A1 METHODS OF MODULATING LEVELS OF IL-6 AND PD-L1 DREXEL UNIVERSITY (US) 2017-06-22 WO disclosed
CN-104822653-B N-prop-2-ynylcarboxamide derivatives and their use as TRPA1 antagonists 奥赖恩公司 2017-03-08 CN 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
CN-1845905-A PPAR-activating compound and pharmaceutical composition comprising the compound KOWA CO (JP) 2006-10-11 CN disclosed
US-7109226-B2 PPAR-activating compound and pharmaceutical composition comprising the compound KOWA CO., LTD. (JP) 2006-09-19 US disclosed
US-20060189667-A1 PPAR-activating compound and pharmaceutical composition comprising the compound KOWA CO., LTD. (JP) 2006-08-24 US disclosed
EP-1661890-A1 PPAR-ACTIVATING COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Kowa Co., Ltd. (JP) 2006-05-31 EP disclosed
US-20050101636-A1 PPAR-activating compound and pharmaceutical composition comprising the compound KOWA CO., LTD. (JP) 2005-05-12 US disclosed
WO-2003055866-A1 QUINAZOLINE AND QUINOLINE DERIVATIVE COMPOUNDS AS INHIBITORS OF PROLYLPEPTIDASE, INDUCERS OF APOPTOSIS AND CANCER TREATMENT AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-10 WO disclosed
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed
EP-0183147-A2 Beta-substituted aminophenethylazol derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-06-04 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 (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-20230127965-A1 METHODS FOR TREATING, AMELIORATING, OR PREVENTING VIRAL INFECTIONS TMEM97, SIGMAR1, OPRL1 MAOB 1672/4885DRD2 302/4885DRD4 1402/4885
US-20060189667-A1 PPAR-activating compound and pharmaceutical composition comprising the compound PPARA, PPARG, PPARD MAOB 1675/4885DRD2 863/4885DRD4 572/4885
US-20200087730-A1 METHODS OF IDENTIFYING AND TREATING TUMORS WITH SIGMA1 INHIBITORS SIGMAR1, TMEM97, OPRK1 MAOB 1243/4885DRD2 1041/4885DRD4 1820/4885
US-10314795-B2 Sigma receptor ligands and methods of modulating cellular protein homeostasis using same SIGMAR1, TMEM97, ADRM1 MAOB 2248/4885DRD2 1257/4885DRD4 1809/4885
US-20180235910-A1 NOVEL SIGMA RECEPTOR LIGANDS AND METHODS OF MODULATING CELLULAR PROTEIN HOMEOSTASIS USING SAME TMEM97, SIGMAR1, ADRM1 MAOB 2353/4885DRD2 1343/4885DRD4 1754/4885
US-20160361279-A1 NOVEL SIGMA RECEPTOR LIGANDS AND METHODS OF MODULATING CELLULAR PROTEIN HOMEOSTASIS USING SAME TMEM97, SIGMAR1, ADRM1 MAOB 2353/4885DRD2 1343/4885DRD4 1754/4885
US-20050101636-A1 PPAR-activating compound and pharmaceutical composition comprising the compound PPARG, PPARA, PPARD MAOB 4456/4885DRD2 2217/4885DRD4 2509/4885

“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.