SCHEMBL14764185

SCHEMBL14764185

COc1ncc(Br)cc1C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.41
OPRK1 P41145 12/20 0.40
HSD17B10 Q99714 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL316314 0.86 HSD17B10 (0.50) TSHROPRK1HSD17B10CNR2ALDH1A1
SCHEMBL29457453 0.84 OPRK1 (0.49) OPRK1HSD17B10
SCHEMBL8125788 0.84 NNMT (0.46) OPRK1HSD17B10CNR2ALDH1A1HPGD
SCHEMBL9954416 0.84 HSD17B10 (0.49) TSHROPRK1HSD17B10CNR2ALDH1A1
Lithium SCHEMBL9954426 0.84 HSD17B10 (0.49) TSHROPRK1HSD17B10CNR2ALDH1A1
SCHEMBL757419 0.84 OPRK1 (0.49) OPRK1HSD17B10
SCHEMBL11875941 0.84 CNR2 (0.38) OPRK1HSD17B10CNR2NPC1RAB9A
SCHEMBL2628512 0.83 CNR2 (0.37) OPRK1HSD17B10CNR2NPC1RAB9A
Lithium Ion SCHEMBL9954420 0.83 CNR2 (0.37) OPRK1HSD17B10CNR2NPC1RAB9A
SCHEMBL10473684 0.82 CNR2 (0.40) HTTTSHROPRK1HSD17B10CNR2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 US disclosed
CN-116390917-A MRGX2 antagonists 葛兰素史密斯克莱知识产权发展有限公司 2023-07-04 CN disclosed
WO-2022224924-A1 NITROGEN-CONTAINING HETEROARYL COMPOUND, AGRICULTURAL AND HORTICULTURAL ANTI-BACTERIAL AGENT, NEMATICIDE, AND ANTI-FUNGAL AGENT FOR MEDICAL AND VETERINARY USES 日本曹達株式会社 2022-10-27 WO disclosed
US-20220112174-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 US disclosed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 WO disclosed
EP-3255042-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME BEYONDBIO INC (KR) 2020-12-30 EP disclosed
US-20200190062-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME BEYONDBIO INC. (KR) 2020-06-18 US disclosed
US-10227328-B2 Heterocyclic compound and pharmaceutical composition comprising same BEYONDBIO INC. (KR) 2019-03-12 US disclosed
EP-2753325-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-09-19 EP disclosed
WO-2016126085-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 비욘드바이오주식회사 2016-08-11 WO disclosed
US-9265773-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-23 US disclosed
US-9265773-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-23 US disclosed
US-9265773-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-23 US disclosed
US-20140213571-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2014-07-31 US disclosed
WO-2013033971-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
WO-2013033971-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 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-10227328-B2 Heterocyclic compound and pharmaceutical composition comprising same CDK5, CDK1, CDK4 HTT 255/4885TSHR 4434/4885PTGDR2 1034/4885
US-20200190062-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CDK5, CDK3, CDK1 HTT 469/4885TSHR 4135/4885PTGDR2 883/4885
US-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 HTT 1868/4885TSHR 517/4885PTGDR2 37/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 HTT 1868/4885TSHR 517/4885PTGDR2 37/4885
US-20140213571-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HCCS, HAVCR2, EIF2AK2 HTT 1807/4885TSHR 4266/4885PTGDR2 3310/4885

“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.