SCHEMBL6606461

SCHEMBL6606461

CN(C)[C@H](C=O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX1 P07099 2/20 0.46
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
ADRA1A P35348 2/20 0.44
OPRK1 P41145 2/20 0.44
HTR2A P28223 1/20 0.44
KCNH2 Q12809 1/20 0.44
HPGD P15428 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
MAOA P21397 2/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL3343241 1.00 TAAR1 (0.47) TAAR1MEN1KMT2AEPHX1SLC6A2
SCHEMBL27896536 0.81 TAAR1 (0.41) TAAR1ALDH1A1TSHRMAOB
SCHEMBL31080676 0.81 TAAR1 (0.44) TAAR1MEN1KMT2AEPHX1SLC6A2
SCHEMBL19821211 0.80 TAAR1 (0.41) TAAR1MEN1KMT2AEPHX1SLC6A2
SCHEMBL9470007 0.80 ALPI (0.44) TAAR1MEN1KMT2AHPGDALDH1A1
SCHEMBL995542 0.80 SLC6A2 (0.44) TAAR1EPHX1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7784340 0.79 TAAR1 (0.43) TAAR1MEN1KMT2AEPHX1SLC6A2
SCHEMBL23019073 0.79 HPGD (0.43) TAAR1MEN1KMT2AEPHX1HPGD
SCHEMBL18376060 0.79 HTR2A (0.51) HTR2ASIGMAR1CYP2A6CYP1A2MAOB
SCHEMBL12522030 0.79 ADRA2B (0.41) TAAR1MEN1KMT2AEPHX1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954269-B2 Anti-inflammatory tripeptides DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2021-03-23 US disclosed
EP-3769776-A1 PEPTIDOMIMETIC MACROCYCLES Aileron Therapeutics, Inc. (US) 2021-01-27 EP disclosed
EP-2822572-B1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS INC (US) 2020-06-10 EP disclosed
WO-2019144805-A1 SUBSTITUTED PHENYLETHYLAMINE COMPOUND AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-08-01 WO disclosed
US-20190153029-A1 ANTI-INFLAMMATORY TRIPEPTIDES DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2019-05-23 US disclosed
US-10227379-B2 Anti-inflammatory tripeptides DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2019-03-12 US disclosed
WO-2017165299-A2 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2017-09-28 WO disclosed
WO-2017044633-A1 PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF MCL-1 AILERON THERAPEUTICS, INC. (US) 2017-03-16 WO disclosed
WO-2017004548-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2017-01-05 WO disclosed
WO-2016049355-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. (US) 2016-03-31 WO disclosed
US-7189864-B2 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-03-13 US disclosed
US-7189864-B2 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-03-13 US disclosed
EP-0923569-B1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-11-17 EP disclosed
US-6020366-A Butyric acid matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2000-02-01 US disclosed
EP-0923569-A1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-06-23 EP disclosed
WO-1998006711-A1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1998-02-19 WO disclosed
EP-0148883-B1 ALLOPURINOL PRODRUGS A/S GEA Farmaceutisk Fabrik (DK) 1990-02-14 EP disclosed
US-4694006-A Acyl- or acyloxymethyl-allopurinol prodrugs A/S GEA (DK) 1987-09-15 US disclosed
EP-0148883-A1 ALLOPURINOL PRODRUGS. GEA AS (DK) 1985-07-24 EP disclosed
WO-1985000368-A1 ALLOPURINOL PRODRUGS A/S GEA (DK) 1985-01-31 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-20190153029-A1 ANTI-INFLAMMATORY TRIPEPTIDES VIP, TNF, ENPEP TAAR1 2337/4885MEN1 3418/4885KMT2A 4787/4885
US-10954269-B2 Anti-inflammatory tripeptides VIP, TNF, ENPEP TAAR1 2337/4885MEN1 3418/4885KMT2A 4787/4885
US-10227379-B2 Anti-inflammatory tripeptides VIP, TNF, ENPEP TAAR1 2337/4885MEN1 3418/4885KMT2A 4787/4885

“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.