SCHEMBL2350405

SCHEMBL2350405

CNC(C)Cc1cc(OC)c2c(c1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.59
ALDH1A1 P00352 2/20 0.59
CYP2D6 P10635 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
SLC6A3 Q01959 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALKBH5 Q6P6C2 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR7 P34969 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL29827277 1.00 CYP3A4 (0.59) CYP3A4ALDH1A1CYP2D6SLC6A2SLC6A4
SCHEMBL29827751 0.83 CYP3A4 (0.62) CYP3A4ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL217047 0.83 CYP3A4 (0.62) CYP3A4ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL1739571 0.83 CYP3A4 (0.62) CYP3A4ALDH1A1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL31545549 0.82 CYP3A4 (0.61) CYP3A4ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL31493164 0.78 CYP3A4 (0.59) CYP3A4ALDH1A1SMN1; SMN2ALKBH5MEN1
SCHEMBL12000232 0.77 CYP3A4 (0.77) CYP3A4ALDH1A1CYP2D6SMN1; SMN2ALKBH5
SCHEMBL29633067 0.77 CYP2D6 (0.55) CYP2D6SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL5467647 0.77 CYP2D6 (0.55) CYP2D6SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL1465832 0.76 CYP3A4 (0.69) CYP3A4ALDH1A1SMN1; SMN2ALKBH5MEN1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630504-B2 Phenethylamine derivatives, compositions, and methods of use CYBIN IRL LIMITED (IE) 2026-05-19 US disclosed
US-20250145566-A1 PHENETHYLAMINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE CYBIN IRL LIMITED (IE) 2025-05-08 US disclosed
US-20240317704-A1 PHENETHYLAMINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE CYBIN IRL LIMITED (IE) 2024-09-26 US disclosed
WO-2023156453-A1 PHENETHYLAMINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE CYBIN IRL LIMITED (IE) 2023-08-24 WO disclosed
US-9522163-B2 Methods of treating hepatitis University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2016-12-20 US disclosed
US-20140141103-A1 METHODS OF TREATING HEPATITIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-05-22 US disclosed
US-20130202720-A1 METHODS OF TREATING HEPATITIS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2013-08-08 US disclosed
US-20120276220-A1 Method of Treating Hepatitis YALE UNIVERSITY (US) 2012-11-01 US disclosed
EP-1505990-B1 METHODS OF TREATING HEPATITIS UNIV YALE (US) 2011-08-24 EP disclosed
EP-1515753-A4 PHARMACEUTICAL USE OF NITRIC OXIDE, HEME OXYGENASE-1 AND PRODUCTS OF HEME DEGRADATION UNIV PITTSBURGH (US) 2009-07-15 EP disclosed
WO-2008156638-A2 METHOD OF TREATING DISORDERS THAT WOULD BENEFIT FROM INCREASED LEVELS OF BILIRUBIN IN A SUBJECT BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2008-12-24 WO disclosed
US-20080171021-A1 PHARMACEUTICAL USE OF NITRIC OXIDE, HEME OXYGENASE-1 AND PRODUCTS OF HEME DEGRADATION BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2008-07-17 US disclosed
WO-2008008513-A2 COMBINATION TREATMENTS BETH ISRAEL DEACONESS MEDICAL CENTER INC. (US) 2008-01-17 WO disclosed
EP-1515753-A1 PHARMACEUTICAL USE OF NITRIC OXIDE, HEME OXYGENASE-1 AND PRODUCTS OF HEME DEGRADATION UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-03-23 EP disclosed
EP-1505990-A2 METHODS OF TREATING HEPATITIS YALE UNIVERSITY (US) 2005-02-16 EP disclosed
US-20040131703-A1 Pharmaceutical use of nitric oxide, heme oxygenase-1 and products of heme degradation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-07-08 US disclosed
US-20040052866-A1 Methods of treating hepatitis PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION, UNIVERSITY OF 2004-03-18 US disclosed
WO-2004000368-A1 PHARMACEUTICAL USE OF NITRIC OXIDE, HEME OXYGENASE-1 AND PRODUCTS OF HEME DEGRADATION UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2003-12-31 WO disclosed
WO-2003096977-A2 METHODS OF TREATING HEPATITIS YALE UNIVERSITY (US) 2003-11-27 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 (3 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-20240317704-A1 PHENETHYLAMINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE HTR2C, HTR2A, PNMT CYP3A4 469/4885ALDH1A1 3746/4885CYP2D6 309/4885
US-12630504-B2 Phenethylamine derivatives, compositions, and methods of use HTR2C, HTR1A, HTR2A CYP3A4 570/4885ALDH1A1 2351/4885CYP2D6 113/4885
US-20250145566-A1 PHENETHYLAMINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE PNMT, HTR7, HTR2C CYP3A4 305/4885ALDH1A1 2656/4885CYP2D6 261/4885

“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.