SCHEMBL4026200

SCHEMBL4026200

NCCc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.75
▸ MAOB P27338 10/20 0.70
▸ MAOA P21397 1/20 0.59
▸ ST14 Q9Y5Y6 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 SCHEMBL17042739 0.98 TAAR1 (0.72) TAAR1MAOBMAOA
SCHEMBL6311979 0.89 TAAR1 (0.67) TAAR1MAOBST14
SCHEMBL232327 0.87 TAAR1 (1.00) TAAR1MAOB
SCHEMBL17085328 0.86 TAAR1 (0.55) TAAR1MAOBST14
Hydrochloric Acid SCHEMBL17042613 0.85 MAOB (0.56) TAAR1MAOBST14
Iodide SCHEMBL29127481 0.84 TAAR1 (0.95) TAAR1MAOB
Hydrochloric Acid SCHEMBL1924679 0.84 TAAR1 (0.95) TAAR1MAOB
Bromide SCHEMBL28684127 0.84 TAAR1 (0.95) TAAR1MAOB
Hydrochloric Acid SCHEMBL10897947 0.84 TAAR1 (0.95) TAAR1MAOB
SCHEMBL1049649 0.83 ALDH1A1 (0.64) TAAR1MAOBMAOAST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2913325-B1 SUBSTITUTED PYRIMIDINE COMPOUND AND USES THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2021-04-21 — — EP disclosed
EP-3760617-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND USES THEREOF Shenyang Sinochem Agrochemicals R&D Co., Ltd. (CN) 2021-01-06 — — EP disclosed
US-9770026-B2 Substituted pyrimidine compound and uses thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2017-09-26 — — US disclosed
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 — — EP disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 — — US disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 — — US disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 — — US disclosed
US-20150257385-A1 Substituted Pyrimidine Compound and Uses Thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2015-09-17 — — US disclosed
EP-2913325-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND USES THEREOF Sinochem Corporation (CN) 2015-09-02 — — EP disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 — — US disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 — — WO disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 — — WO disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 — — US disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 — — US disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 — — US disclosed
EP-2096107-A1 Derivatives of squaric acid with anti-proliferative activity GPC Biotech AG (DE) 2009-09-02 — — EP disclosed
EP-1674457-B1 Derivatives of squaric acid with anti-proliferative activity GPC BIOTECH AG (DE) 2009-06-03 — — EP disclosed
US-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity Valo Health, LLC 2008-08-21 — — US disclosed
EP-1674457-A1 Derivatives of squaric acid with anti-proliferative activity GPC Biotech AG (DE) 2006-06-28 — — EP disclosed
US-20050054582-A1 Para-amino benzoic acids as integrin antagonists BAYER AKTIENGESELLSCHAFT (DE) 2005-03-10 — — 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 (5 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-20150257385-A1 Substituted Pyrimidine Compound and Uses Thereof TYR, GART, LRRK2 TAAR1 437/4885MAOB 87/4885MAOA 483/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 TAAR1 3528/4885MAOB 991/4885MAOA 759/4885
US-20050054582-A1 Para-amino benzoic acids as integrin antagonists ITGB7, ICAM1, ITGB1 TAAR1 1301/4885MAOB 3301/4885MAOA 3367/4885
US-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity SQLE, FDFT1, DLD TAAR1 4581/4885MAOB 4297/4885MAOA 4494/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B TAAR1 1985/4885MAOB 861/4885MAOA 835/4885

“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.

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