SCHEMBL4262606

SCHEMBL4262606

CN1c2ccccc2C(NCCCCC(=O)O)c2ccc(Cl)cc2S1(=O)=O

nearest known ligand 0.98

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 3/20 0.98
OPRM1 P35372 1/20 0.98
DRD3 P35462 1/20 0.98
OPRD1 P41143 1/20 0.98
BCHE P06276 15/20 0.64
ACHE P22303 1/20 0.64
HTR2C P28335 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
Tianeptine SCHEMBL3996165 0.99 NR1I2 (1.00) NR1I2OPRM1DRD3OPRD1BCHE
Tianeptine SCHEMBL49293 0.99 NR1I2 (1.00) NR1I2OPRM1DRD3OPRD1BCHE
Hydrochloric Acid SCHEMBL22664293 0.99 NR1I2 (0.96) NR1I2OPRM1DRD3OPRD1BCHE
Tianeptine SCHEMBL29930593 0.99 NR1I2 (1.00) NR1I2OPRM1DRD3OPRD1BCHE
Tianeptine SCHEMBL29470274 0.99 NR1I2 (1.00) NR1I2OPRM1DRD3OPRD1BCHE
Tianeptine SCHEMBL29877330 0.99 NR1I2 (1.00) NR1I2OPRM1DRD3OPRD1BCHE
Tianeptine SCHEMBL2894680 0.98 NR1I2 (0.98) NR1I2OPRM1DRD3OPRD1BCHE
Tianeptine SCHEMBL2897771 0.98 NR1I2 (0.98) NR1I2OPRM1DRD3OPRD1BCHE
Tianeptine SCHEMBL1231001 0.98 NR1I2 (0.98) NR1I2OPRM1DRD3OPRD1BCHE
Tianeptine SCHEMBL20338621 0.97 NR1I2 (0.96) NR1I2OPRM1DRD3OPRD1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092802-A1 MU-OPIOID RECEPTOR AGONISTS AND USES THEREFOR KURES, INC. 2024-03-21 US disclosed
US-20230365519-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF KURES, INC. 2023-11-16 US disclosed
EP-3116509-B1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS UNIV COLUMBIA (US) 2022-06-22 EP disclosed
EP-3116509-B1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS UNIV COLUMBIA (US) 2022-06-22 EP disclosed
WO-2022074587-A1 MU-OPIOID RECEPTOR AGONISTS AND USES THEREFOR KURES, INC. (US) 2022-04-14 WO disclosed
US-20220106279-A1 CLASS OF MU-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-04-07 US disclosed
US-10844027-B2 Carboxylic diarylthiazepineamines as mu-opioid receptor agonists THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-11-24 US disclosed
US-20190084949-A1 NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-03-21 US disclosed
US-20190084949-A1 NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-03-21 US disclosed
US-20190047970-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AS MU-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-02-14 US disclosed
US-10183919-B2 Class of mu-opioid receptor agonists THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-01-22 US disclosed
US-20170217913-A1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-03 US disclosed
US-20170217913-A1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-03 US disclosed
US-20170217913-A1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-03 US disclosed
WO-2017049158-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AS MU-OPIOID RECEPTOR AGONISTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-03-23 WO disclosed
US-20090209474-A1 NOVEL USES FOR DRUGS TARGETING GLUTAMINE SYNTHETASE NEWTHERA (FR) 2009-08-20 US disclosed
EP-1752143-A1 Novel uses for drugs targeting glutamine synthetase NewThera (FR) 2007-02-14 EP disclosed
EP-0239436-B1 Tricyclic derivative, namely 5-(3-chloro-6-methyl-5,5-dioxo-6,11-dihydro-dibenzo[C,F] [1,2]-thiazepin-11-ylamino)-pentanoic acid, process for its preparation and medicines and medicines containing it ADIR ET COMPAGNIE (FR) 1990-06-20 EP disclosed
US-4766114-A ANTIDEPRESSNATS ADIR ET COMPAGNIE (FR) 1988-08-23 US disclosed
EP-0239436-A1 Tricyclic derivative, namely 5-(3-chloro-6-methyl-5,5-dioxo-6,11-dihydro-dibenzo[C,F] [1,2]-thiazepin-11-ylamino)-pentanoic acid, process for its preparation and medicines and medicines containing it ADIR ET COMPAGNIE (FR) 1987-09-30 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 (9 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-20240092802-A1 MU-OPIOID RECEPTOR AGONISTS AND USES THEREFOR OPRL1, OPRM1, CDKL5 NR1I2 224/4885OPRM1 2/4885DRD3 1002/4885
US-20090209474-A1 NOVEL USES FOR DRUGS TARGETING GLUTAMINE SYNTHETASE GLUL, GLS2, ASNS NR1I2 516/4885OPRM1 224/4885DRD3 1663/4885
US-10183919-B2 Class of mu-opioid receptor agonists OPRM1, OPRL1, OPRK1 NR1I2 183/4885OPRM1 1/4885DRD3 240/4885
US-20190047970-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AS MU-OPIOID RECEPTOR AGONISTS OPRL1, OPRM1, OPRK1 NR1I2 401/4885OPRM1 2/4885DRD3 130/4885
US-20220106279-A1 CLASS OF MU-OPIOID RECEPTOR AGONISTS OPRM1, OPRL1, OPRK1 NR1I2 183/4885OPRM1 1/4885DRD3 240/4885
US-20190084949-A1 NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS OPRM1, OPRL1, OPRK1 NR1I2 164/4885OPRM1 1/4885DRD3 227/4885
US-20230365519-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF CDKL5, CDKL1, H1-5 NR1I2 629/4885OPRM1 3626/4885DRD3 382/4885
US-10844027-B2 Carboxylic diarylthiazepineamines as mu-opioid receptor agonists OPRL1, OPRM1, OPRK1 NR1I2 401/4885OPRM1 2/4885DRD3 130/4885
US-20170217913-A1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS OPRM1, OPRL1, OPRK1 NR1I2 175/4885OPRM1 1/4885DRD3 254/4885

“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.