SCHEMBL1281

SCHEMBL1281

CC(CCN)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.67
RIPK1 Q13546 1/20 0.63
HRH1 P35367 2/20 0.62
AOC3 Q16853 2/20 0.54
HTR2A P28223 2/20 0.52
TRPA1 O75762 3/20 0.48

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
SCHEMBL5791734 1.00 TAAR1 (0.67) TAAR1RIPK1HRH1AOC3HTR2A
SCHEMBL23336071 1.00 TAAR1 (0.67) TAAR1RIPK1HRH1AOC3HTR2A
SCHEMBL9753640 1.00 TAAR1 (0.67) TAAR1RIPK1HRH1AOC3HTR2A
SCHEMBL11489693 0.87 CHRNB2 (0.53) TAAR1RIPK1HRH1AOC3
SCHEMBL2096805 0.86 HRH1 (0.65) TAAR1RIPK1HRH1AOC3HTR2A
Hydrochloric Acid SCHEMBL11496246 0.86 CHRNB2 (0.52) TAAR1RIPK1HRH1AOC3
SCHEMBL6280516 0.85 RIPK1 (0.67) TAAR1RIPK1AOC3TRPA1
SCHEMBL3428511 0.85 TAAR1 (0.59) TAAR1RIPK1HRH1AOC3HTR2A
SCHEMBL14387157 0.85 TAAR1 (0.59) TAAR1RIPK1HRH1AOC3HTR2A
SCHEMBL14459040 0.83 TAAR1 (0.57) TAAR1RIPK1HRH1AOC3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117110493-A Metabolic marker associated with neonatal pneumonia and metabolic acidosis and application thereof 大连大学 2023-11-24 CN claimed
CN-116893237-A Metabolic marker related to neonatal pneumonia and myocardial damage and application thereof 大连大学 2023-10-17 CN claimed
CN-113264895-B Synthetic method for preparing benzoxazole compound from catechol compound and amine compound 湖南第一师范学院 2022-03-25 CN claimed
CN-113264895-A Synthetic method for preparing benzoxazole compound from catechol compound and amine compound 湖南第一师范学院 2021-08-17 CN claimed
EP-3548489-A1 ORTHO SUBSTITUTED PHENYLPYRAZOLO- AND PHENYLPYRROLO-PYRIDAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-10-09 EP claimed
WO-2018100045-A1 ORTHO SUBSTITUTED PHENYLPYRAZOLO- AND PHENYLPYRROLO-PYRIDAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2018-06-07 WO claimed
WO-2017098520-A1 PROCESS FOR THE PREPARATION OF LABETALOL HYDROCHLORIDE prscDAVALURI RAMAMOHAN RAO (IN) 2017-06-15 WO claimed
EP-3160465-A1 USE OF SMALL MOLECULES FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE TOXICITY The Board of Trustees of the Leland Stanford Junior University (US) 2017-05-03 EP claimed
WO-2015200358-A1 USE OF SMALL MOLECULES FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE TOXICITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-12-30 WO claimed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US claimed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO claimed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 WO claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
EP-1934193-A1 BENZOTHIADIAZOLYPHENYLALKYLAMINE DERIVATIVES FOR USE IN THE TREATMENT OF CONDITIONS AMELIORATED BY MONOAMINE REUPTAKE Wyeth a Corporation of the State of Delaware (US) 2008-06-25 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
WO-2007041258-A1 BENZOTHIADIAZOLYPHENYLALKYLAMINE DERIVATIVES FOR USE IN THE TREATMENT OF CONDITIONS AMELIORATED BY MONOAMINE REUPTAKE WYETH (US) 2007-04-12 WO claimed
WO-2002022801-A9 MAMMALIAN RECEPTOR GENES AND USES UNIV OREGON HEALTH & SCIENCE (US) 2003-07-03 WO claimed
CN-1343024-A Organic amine used as additive in electrochemical battery MERCK PATENT GMBH (DE) 2002-04-03 CN claimed
EP-1187244-A2 Organic amines as additives for electrochemical cells MERCK PATENT GmbH (DE) 2002-03-13 EP claimed
WO-1991019002-A1 A PROCESS FOR CHIRAL ENRICHMENT OF ASYMMETRIC PRIMARY AMINES CARLBIOTECH LTD. A/S (DK) 1991-12-12 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120190680-A1 Heteroaryl Amide Analogues P2RX3, P2RX2, ADORA2A TAAR1 162/4885RIPK1 1722/4885HRH1 302/4885

“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.