SCHEMBL3900634

SCHEMBL3900634

CN[C@H](C)Cc1ccc(O)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.71
TTR P02766 1/20 0.71
JUN P05412 1/20 0.71
NR3C1 P04150 1/20 0.71
HSD17B1 P14061 1/20 0.71
HSD17B2 P37059 1/20 0.71
ALOX15 P16050 3/20 0.65
ALOX12 P18054 3/20 0.65
MMP1 P03956 1/20 0.62
CYP3A4 P08684 1/20 0.62
TAAR1 Q96RJ0 2/20 0.54
TSHR P16473 2/20 0.54
MAPK1 P28482 1/20 0.54
CALM1 P0DP23 1/20 0.54
GAA P10253 3/20 0.53
ATM Q13315 2/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.53
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL3900627 1.00 FOS (0.71) FOSTTRJUNNR3C1HSD17B1
SCHEMBL2959285 0.87 FOS (0.71) FOSTTRJUNNR3C1HSD17B1
SCHEMBL5277797 0.87 ALOX15 (0.71) FOSTTRJUNNR3C1HSD17B1
SCHEMBL5277808 0.87 ALOX15 (0.71) FOSTTRJUNNR3C1HSD17B1
SCHEMBL8828295 0.85 CA2 (0.60) ALOX15ALOX12TAAR1ATM
SCHEMBL30559576 0.85 CA2 (0.60) ALOX15ALOX12TAAR1ATM
SCHEMBL1026086 0.85 CA2 (0.60) ALOX15ALOX12TAAR1ATM
SCHEMBL1023836 0.85 CA2 (0.60) ALOX15ALOX12TAAR1ATM
SCHEMBL16364799 0.84 GAA (0.67) FOSTTRJUNNR3C1HSD17B1
SCHEMBL19117433 0.84 GAA (0.67) FOSTTRJUNNR3C1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220273680-A1 Methods of Treating Psychological and Brain Disorders UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-09-01 US claimed
EP-4013403-A1 METHODS OF TREATING PSYCHOLOGICAL AND BRAIN DISORDERS University of Maryland, Baltimore (US) 2022-06-22 EP claimed
WO-2021030571-A1 METHODS OF TREATING PSYCHOLOGICAL AND BRAIN DISORDERS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2021-02-18 WO claimed
EP-1701949-B1 ASSAY FOR ENTACTOGENS SIEMENS HEALTHCARE DIAGNOSTICS INC (US) 2018-04-18 EP claimed
EP-1701948-B1 ASSAY FOR ENTACTOGENS SIEMENS HEALTHCARE DIAGNOSTICS (US) 2014-03-26 EP claimed
US-20090280499-A1 METHOD AND KIT FOR DETECTING, OR DETERMINING 3,4- METHYLENEDIOXYMETHAMPHETAMINE RANDOX LABORATORIES LIMITED (GB) 2009-11-12 US claimed
EP-1701948-A4 ASSAY FOR ENTACTOGENS SIEMENS HEALTHCARE DIAGNOSTICS (US) 2009-03-04 EP claimed
EP-1701949-A4 ASSAY FOR ENTACTOGENS DADE BEHRING INC (US) 2008-02-20 EP claimed
EP-1701948-A1 ASSAY FOR ENTACTOGENS DADE BEHRING INC. (US) 2006-09-20 EP claimed
EP-1701949-A2 ASSAY FOR ENTACTOGENS DADE BEHRING INC. (US) 2006-09-20 EP claimed
US-6991911-B2 Assay for entactogens DADE BEHRING INC. (US) 2006-01-31 US claimed
US-6946547-B2 Ecstasy-class analogs and use of same in detection of ecstasy-class compounds MICROGENICS CORPORATION (US) 2005-09-20 US claimed
WO-2005058864-A1 ASSAY FOR ENTACTOGENS DADE BEHRING INC. (US) 2005-06-30 WO claimed
WO-2005058865-A2 ASSAY FOR ENTACTOGENS DADE BEHRING INC. (US) 2005-06-30 WO claimed
US-20050130243-A1 Assay for entactogens SIEMENS HEALTHCARE DIAGNOSTICS INC. 2005-06-16 US claimed
US-20050130244-A1 for detection of 3,4-methylenedioxyamphetamine (MDA), 3,4-methylenedioxy-methamphetamine (MDMA) anibody production; drug screening; haptens; immunogens SIEMENS HEALTHCARE DIAGNOSTICS INC. 2005-06-16 US claimed
US-20030207469-A1 Ecstasy-class analogs and use of same in detection of ecstasy-class compounds MICROGENICS CORPORATION (US) 2003-11-06 US claimed
US-20260102372-A1 NEW FORMULATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2026-04-16 US disclosed
EP-1167976-A2 Immunoassay for the detection of amphetamines and derivatives thereof BOEHRINGER MANNHEIM GMBH (DE) 2002-01-02 EP disclosed
WO-1994000432-A1 ANORECTIC EPINEPHRINE DERIVATIVES THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-01-06 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 (4 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-20030207469-A1 Ecstasy-class analogs and use of same in detection of ecstasy-class compounds CES2, DNPEP, HLA-A FOS 3019/4885TTR 4666/4885JUN 4352/4885
US-20090280499-A1 METHOD AND KIT FOR DETECTING, OR DETERMINING 3,4- METHYLENEDIOXYMETHAMPHETAMINE KIT, PNMT, HNMT FOS 2193/4885TTR 4127/4885JUN 3613/4885
US-20050130243-A1 Assay for entactogens HTR3C, COMT, PNMT FOS 4497/4885TTR 3253/4885JUN 4763/4885
US-20260102372-A1 NEW FORMULATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT SLC6A4, SLC6A2, SLC6A3 FOS 1379/4885TTR 617/4885JUN 1228/4885

“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.