SCHEMBL1739571

SCHEMBL1739571

COc1cc(CC(C)N)cc2c1OCO2

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.62
ALDH1A1 P00352 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.59
TAAR1 Q96RJ0 2/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
SLC6A3 Q01959 1/20 0.55
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALKBH5 Q6P6C2 1/20 0.49
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL29827751 1.00 CYP3A4 (0.62) CYP3A4ALDH1A1SMN1; SMN2TAAR1SLC6A2
SCHEMBL217047 1.00 CYP3A4 (0.62) CYP3A4ALDH1A1SMN1; SMN2TAAR1SLC6A2
Hydrochloric Acid SCHEMBL31545549 0.99 CYP3A4 (0.61) CYP3A4ALDH1A1SMN1; SMN2TAAR1SLC6A2
SCHEMBL31166209 0.88 ALDH1A1 (0.48) CYP3A4ALDH1A1SMN1; SMN2TAAR1SLC6A2
SCHEMBL5305466 0.88 ALDH1A1 (0.48) CYP3A4ALDH1A1SMN1; SMN2TAAR1SLC6A2
Tenamfetamine SCHEMBL9102083 0.83 TAAR1 (0.57) CYP3A4ALDH1A1SMN1; SMN2TAAR1SLC6A2
SCHEMBL2350405 0.83 CYP3A4 (0.59) CYP3A4ALDH1A1SMN1; SMN2TAAR1SLC6A2
SCHEMBL29827277 0.83 CYP3A4 (0.59) CYP3A4ALDH1A1SMN1; SMN2TAAR1SLC6A2
SCHEMBL9781426 0.81 CYP3A4 (0.69) CYP3A4ALDH1A1SMN1; SMN2MEN1KMT2A
Tenamfetamine SCHEMBL9102090 0.80 SLC6A4 (0.53) CYP3A4ALDH1A1SMN1; SMN2TAAR1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4346788-A2 ENANTIOMERIC ENTACTOGEN COMPOSITIONS AND METHODS OF THEIR USE Arcadia Medicine, Inc. (US) 2024-04-10 EP claimed
WO-2022256720-A2 ENANTIOMERIC ENTACTOGEN COMPOSITIONS AND METHODS OF THEIR USE ARCADIA MEDICINE, INC. (US) 2022-12-08 WO claimed
EP-4061359-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH Turtle Bear Holdings, LLC (US) 2022-09-28 EP claimed
WO-2021101926-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH STAMETS PAUL EDWARD (US) 2021-05-27 WO claimed
US-20210145851-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH TURTLE BEAR HOLDINGS, LLC 2021-05-20 US claimed
US-20210069170-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH TURTLE BEAR HOLDINGS, LLC 2021-03-11 US claimed
US-9435816-B2 Deuterium free, stable isotope labeled 2-phenylethylamine hallucinogens and/or stimulants, methods of their preparation and their use CHIRON AS (NO) 2016-09-06 US claimed
WO-2014153099-A2 METHOD FOR USING EXHALED BREATH TO DETERMINE THE PRESENCE OF DRUG Pulmonary Analytics (US) 2014-09-25 WO claimed
US-20140288454-A1 Method For Using Exhaled Breath to Determine the Presence of Drug Pulmonary Analytics (US) 2014-09-25 US claimed
US-20140227792-A1 DEUTERIUM FREE, STABLE ISOTOPE LABELED 2-PHENYLETHYLAMINE HALLUCINOGENS AND/OR STIMULANTS, METHODS OF THEIR PREPARATION AND THEIR USE CHIRON A/S (NO) 2014-08-14 US claimed
WO-2013014287-A2 DEUTERIUM FREE, STABLE ISOTOPE LABELED 2-PHENYLETHYLAMINE HALLUCINOGENS AND/OR STIMULANTS, METHODS OF THEIR PREPARATION AND THEIR USE CHIRON AS (NO) 2013-01-31 WO claimed
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 claimed
US-20050130312-A1 Method for the detection of compounds comprising methylenedioxyphenyl and testing kit for the same GLATTSTEIN BARUCH (IL) 2005-06-16 US claimed
US-20020013372-A1 Pharmacophore models for the identification of the CYP2D6 inhibitory potency of selective serotonin reuptake inhibitors PFIZER PRODUCTS INC. 2002-01-31 US claimed
EP-1134290-A2 Pharmacophore models for the identification of the CYP2D6 inhibitory potency of selective serotonin reuptake inhibitors Pfizer Products Inc. (US) 2001-09-19 EP claimed
US-12630504-B2 Phenethylamine derivatives, compositions, and methods of use CYBIN IRL LIMITED (IE) 2026-05-19 US disclosed
US-20260108544-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH TURTLE BEAR HOLDINGS LLC (US) 2026-04-23 US disclosed
WO-2003052426-A1 A METHOD FOR THE DETECTION OF COMPOUNDS COMPRISING METHYLENEDIOXYPHENYL AND TESTING KIT FOR THE SAME GLATTSTEIN ORA (IL) 2003-06-26 WO disclosed
US-20020013372-A1 Pharmacophore models for the identification of the CYP2D6 inhibitory potency of selective serotonin reuptake inhibitors PFIZER PRODUCTS INC. 2002-01-31 US disclosed
EP-1134290-A2 Pharmacophore models for the identification of the CYP2D6 inhibitory potency of selective serotonin reuptake inhibitors Pfizer Products Inc. (US) 2001-09-19 EP 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 (5 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-20140227792-A1 DEUTERIUM FREE, STABLE ISOTOPE LABELED 2-PHENYLETHYLAMINE HALLUCINOGENS AND/OR STIMULANTS, METHODS OF THEIR PREPARATION AND THEIR USE PNMT, HTR2C, HTR2A CYP3A4 98/4885ALDH1A1 2538/4885SMN1; SMN2 1078/4885
US-20210145851-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH HTR1B, HTR6, BDNF CYP3A4 2427/4885ALDH1A1 4132/4885SMN1; SMN2 330/4885
US-12630504-B2 Phenethylamine derivatives, compositions, and methods of use HTR2C, HTR1A, HTR2A CYP3A4 570/4885ALDH1A1 2351/4885SMN1; SMN2 1548/4885
US-20210069170-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH HTR1B, HTR6, BDNF CYP3A4 2427/4885ALDH1A1 4132/4885SMN1; SMN2 330/4885
US-20260108544-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH HTR1B, HTR6, BDNF CYP3A4 1901/4885ALDH1A1 2631/4885SMN1; SMN2 157/4885

“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.