SCHEMBL1049672

SCHEMBL1049672

COc1cc(OC)c(CCN)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.64
CYP1A2 P05177 2/20 0.61
ADRA1A P35348 1/20 0.53
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
HTR1D P28221 1/20 0.44
HTR6 P50406 1/20 0.44
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL442070 0.82 CYP1A2 (0.50) TAAR1CYP1A2ADRA1ACYP3A4
SCHEMBL20562309 0.81 TAAR1 (0.52) TAAR1CYP1A2ADRA1AHTR2AHTR2C
SCHEMBL8009626 0.80 CYP1A2 (0.44) TAAR1CYP1A2MAPK1CYP3A4
Hydrochloric Acid SCHEMBL1093815 0.80 CYP1A2 (0.48) TAAR1CYP1A2ADRA1ACYP3A4
Hydrochloric Acid SCHEMBL27229034 0.79 TAAR1 (0.50) TAAR1CYP1A2ADRA1AHTR2AHTR2C
SCHEMBL9198298 0.78 USP2 (0.44) TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL20562959 0.78 TAAR1 (1.00) TAAR1CYP1A2ADRA1AHTR2AHTR2C
SCHEMBL13564259 0.78 CYP1A2 (0.43) TAAR1CYP1A2MAPK1CYP3A4
Hydrochloric Acid SCHEMBL27229033 0.78 PTGS2 (0.53) TAAR1CYP1A2HTR2AHTR2CHTR2B
SCHEMBL2096172 0.77 ALDH1A1 (0.50) CYP1A2MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024118280-A1 4-ALKENYL AND 4-ALKYNYL PHENETHYLAMINE DERIVATIVES AND RELATED COMPOUNDS WITH MODIFIED DOM-LIKE ACTION Mind Medicine, Inc. (US) 2024-06-06 WO disclosed
US-20240174594-A1 4-ALKENYL AND 4-ALKYNYL PHENETHYLAMINE DERIVATIVES AND RELATED COMPOUNDS WITH MODIFIED DOM-LIKE ACTION Mind Medicine, Inc. (US) 2024-05-30 US disclosed
EP-2897599-B1 SUBSTITUTED ALKYL DIARYL DERIVATIVES, METHODS OF PREPARATION AND USES UNIV TEMPLE (US) 2020-12-30 EP disclosed
CN-110776447-A Substituted alkyl diaryl derivatives, preparation method and use 坦普尔大学 2020-02-11 CN disclosed
US-10207989-B2 Substituted alkyl diaryl derivatives, methods of preparation and uses Temple University—Of the Commonwealth System of Higher Education (US) 2019-02-19 US disclosed
EP-2318126-B1 WATER PURIFICATION MEMBRANES WITH IMPROVED FOULING RESISTANCE UNIV TEXAS (US) 2018-08-22 EP disclosed
US-20150266819-A1 SUBSTITUTED ALKYL DIARYL DERIVATIVES, METHODS OF PREPARATION AND USES TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2015-09-24 US disclosed
EP-2897599-A2 SUBSTITUTED ALKYL DIARYL DERIVATIVES, METHODS OF PREPARATION AND USES Temple University - Of The Commonwealth System of Higher Education (US) 2015-07-29 EP disclosed
WO-2014047110-A2 SUBSTITUTED ALKYL DIARYL DERIVATIVES, METHODS OF PREPARATION AND USES TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-03-27 WO disclosed
EP-2551675-A1 Deuterium free, stable isotope labeled 2-phenylethylamine hallucinogens and/or stimulants, methods fo their preparation and their use Chiron AS (NO) 2013-01-30 EP disclosed
US-5486597-A GASTRIN ANTAGONIST AS ANTISECRETORY AGENTS OF GASTRIC JUICE FOR STOMACH CANCER JAMES BLACK FOUNDATION LIMITED (GB) 1996-01-23 US disclosed
US-5480871-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA CHIRON CORPORATION (US) 1996-01-02 US disclosed
WO-1995027729-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-10-19 WO disclosed
EP-0671928-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1995-09-20 EP disclosed
US-5447916-A Hypotensive agents CHIRON CORPORATION (US) 1995-09-05 US disclosed
WO-1995004072-A1 PEPTOID ALPHA-1 ADRENERGIC RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-02-09 WO disclosed
WO-1994006451-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1994-03-31 WO disclosed
EP-0563132-A1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES. BLACK JAMES FOUNDATION (GB) 1993-10-06 EP disclosed
WO-1992011284-A1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES THE JAMES BLACK FOUNDATION LIMITED (GB) 1992-07-09 WO disclosed
US-4681888-A Thienopyridine derivatives and anti-thrombotic compositions containing the same SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 1987-07-21 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 (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-20150266819-A1 SUBSTITUTED ALKYL DIARYL DERIVATIVES, METHODS OF PREPARATION AND USES CCNY, CCNB3, BOD1L1 TAAR1 1550/4885CYP1A2 182/4885ADRA1A 995/4885
US-10207989-B2 Substituted alkyl diaryl derivatives, methods of preparation and uses CCNY, CCNB3, BOD1L1 TAAR1 1550/4885CYP1A2 182/4885ADRA1A 995/4885

“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.