SCHEMBL3849051

SCHEMBL3849051

Cc1cc(C)cc(CCN)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.60
CYP2A6 P11509 2/20 0.56
CYP1A2 P05177 1/20 0.56
HTR2A P28223 3/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
BACE1 P56817 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40

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 SCHEMBL5151143 0.97 TAAR1 (0.58) TAAR1CYP2A6CYP1A2HTR2AHTR2C
SCHEMBL537203 0.94 TAAR1 (0.60) TAAR1CYP2A6CYP1A2HTR2AHTR2C
SCHEMBL14306680 0.85 TAAR1 (0.54) TAAR1CYP2A6CYP1A2HTR2AHTR2C
SCHEMBL4213627 0.84 TAAR1 (0.45) TAAR1CYP2A6CYP1A2HTR2AALDH1A1
SCHEMBL17277598 0.84 TAAR1 (0.50) TAAR1CYP2A6CYP1A2HTR2AHTR2C
SCHEMBL5045761 0.84 TAAR1 (0.50) TAAR1CYP2A6CYP1A2HTR2AHTR2C
SCHEMBL6907499 0.84 TAAR1 (0.50) TAAR1CYP2A6CYP1A2HTR2AHTR2C
Hydrochloric Acid SCHEMBL5151086 0.82 TAAR1 (0.43) TAAR1CYP2A6CYP1A2ALDH1A1TSHR
SCHEMBL15787310 0.82 MAOA (0.48) TAAR1CYP2A6CYP1A2HTR2AALDH1A1
SCHEMBL3690305 0.82 ALDH1A1 (0.44) TAAR1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114163776-A Epoxy resin with pressure-bearing and leakage-stopping functions and preparation method thereof 西南石油大学 2022-03-11 CN claimed
CN-114163776-A Epoxy resin with pressure-bearing and leakage-stopping functions and preparation method thereof 西南石油大学 2022-03-11 CN disclosed
CN-102906079-B Germination-stimulating carbamate derivatives and process for their preparation NAT UNIV CORP UNIV KOBE 2014-11-05 CN disclosed
CN-102906079-A Germination-stimulating carbamate derivatives and process for their preparation NAT UNIV CORP UNIV KOBE 2013-01-30 CN disclosed
EP-1718629-B1 Benzopyran compounds useful for the treatment of arrhytmia NISSAN CHEMICAL IND LTD (JP) 2012-12-26 EP disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
EP-1732929-B1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2010-10-20 EP disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 US disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 EP disclosed
US-6818640-B1 BIND SELECTIVELY TO CANNABINOID 2 RECEPTOR; ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2004-11-16 US disclosed
US-20040157858-A1 Piperazine derivatives as tachykinin antagonists GLAXO GROUP LIMITED (GB) 2004-08-12 US disclosed
WO-2004056823-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-08 WO disclosed
US-20040116326-A1 Medicinal composition containing 1,3-thiazine derivative SHIONOGI & CO., LTD. (JP) 2004-06-17 US disclosed
EP-1375489-A1 MEDICINAL COMPOSITION CONTAINING 1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2004-01-02 EP disclosed
EP-1219612-A1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-07-03 EP disclosed
US-5344830-A Anitinflammatory, cardiovascular, analgesic, central nervous system MERCK & CO., INC. (US) 1994-09-06 US disclosed
WO-1994013646-A1 N,N-DIACYLPIPERAZINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-06-23 WO 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 (2 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-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 TAAR1 173/4885CYP2A6 1120/4885CYP1A2 2499/4885
US-20040157858-A1 Piperazine derivatives as tachykinin antagonists NPSR1, SSTR2, PROKR1 TAAR1 146/4885CYP2A6 2454/4885CYP1A2 1931/4885

“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.