SCHEMBL1629161

SCHEMBL1629161

NC(=O)c1ncc(Br)cc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.47
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
PLAU P00749 1/20 0.36
IDO1 P14902 1/20 0.35
GRM5 P41594 1/20 0.35
BACE1 P56817 7/20 0.34
USP2 O75604 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PARP1 P09874 1/20 0.33
POLB P06746 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33

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
SCHEMBL1661495 0.82 KDM4E (0.42) DGAT1KMT2AHTTGRM5BACE1
Hydrochloric Acid SCHEMBL13729434 0.81 KDM4E (0.41) DGAT1KMT2AHTTGRM5BACE1
SCHEMBL29465147 0.81 DGAT1 (0.35) DGAT1KMT2AHTTGRM5BACE1
SCHEMBL1661089 0.81 DGAT1 (0.35) DGAT1KMT2AHTTPLAUGRM5
SCHEMBL10081962 0.81 DGAT1 (0.35) DGAT1KMT2AHTTGRM5BACE1
SCHEMBL4326940 0.80 DPP4 (0.39) KMT2AIDO1BACE1USP2PARP1
SCHEMBL30641925 0.80 DPP4 (0.39) KMT2AIDO1BACE1USP2PARP1
Hydrochloric Acid SCHEMBL28375765 0.78 DPP4 (0.39) KMT2AIDO1BACE1USP2PARP1
SCHEMBL321782 0.78 HTT (0.42) KMT2AHTTPLAUIDO1GRM5
SCHEMBL30423476 0.78 HTT (0.42) KMT2AHTTPLAUIDO1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402875-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2022-12-22 US disclosed
WO-2022175514-A1 N-(PYRIDIN-2-YL)-ACETAMIDES AS P2X3 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2022-08-25 WO disclosed
EP-3896068-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2021-10-20 EP disclosed
EP-3689864-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2020-08-05 EP disclosed
US-20200157052-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2020-05-21 US disclosed
EP-3086845-B1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2019-11-20 EP disclosed
US-20180201582-A1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2018-07-19 US disclosed
US-9951017-B2 S1P3 antagonists TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2018-04-24 US disclosed
EP-3086845-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2016-11-02 EP disclosed
US-20160297762-A1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2016-10-13 US disclosed
US-7163951-B2 N-biarylmethyl aminocycloalkanecarboxamide derivatives MERCK & CO., INC. (US) 2007-01-16 US disclosed
US-7163951-B2 N-biarylmethyl aminocycloalkanecarboxamide derivatives MERCK & CO., INC. (US) 2007-01-16 US disclosed
US-7163951-B2 N-biarylmethyl aminocycloalkanecarboxamide derivatives MERCK & CO., INC. (US) 2007-01-16 US disclosed
EP-1723143-A2 AMINO CYCLOPROPANE CARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Merck & Co., Inc. (US) 2006-11-22 EP disclosed
EP-1706372-A1 ALPHA-HYDROXY AMIDES AS BRADYKININ ANTAGONISTS OR INVERSE AGONISTS Merck & Co., Inc. (US) 2006-10-04 EP disclosed
US-20050288305-A1 N-biarylmethyl aminocycloalkanecarboxamide derivatives MERCK SHARP & DOHME CORP. 2005-12-29 US disclosed
WO-2005085198-A2 AMINO CYCLOPROPANE CARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS MERCK & CO., INC. (US) 2005-09-15 WO disclosed
WO-2005063690-A1 ALPHA-HYDROXY AMIDES AS BRADYKININ ANTAGONISTS OR INVERSE AGONISTS MERCK & CO., INC. (US) 2005-07-14 WO disclosed
EP-1545538-A2 N-BIARYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES Merck & Co., Inc. (US) 2005-06-29 EP disclosed
WO-2004019868-A2 N-BIARYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES MERCK & CO., INC. (US) 2004-03-11 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 (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-20180201582-A1 S1P3 ANTAGONISTS S1PR3, S1PR5, S1PR1 DGAT1 1475/4885KMT2A 2731/4885HTT 1969/4885
US-20160297762-A1 S1P3 ANTAGONISTS S1PR3, S1PR5, S1PR1 DGAT1 1475/4885KMT2A 2731/4885HTT 1969/4885
US-20220402875-A1 S1P3 Antagonists S1PR3, S1PR5, S1PR1 DGAT1 1475/4885KMT2A 2731/4885HTT 1969/4885
US-20200157052-A1 S1P3 Antagonists S1PR3, S1PR5, S1PR1 DGAT1 1475/4885KMT2A 2731/4885HTT 1969/4885
US-20050288305-A1 N-biarylmethyl aminocycloalkanecarboxamide derivatives BDKRB1, BDKRB2, LTB4R2 DGAT1 2472/4885KMT2A 3164/4885HTT 3211/4885

“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.