SCHEMBL942940

SCHEMBL942940

NCc1cccc(CO)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
MPO P05164 1/20 0.38
KCNH2 Q12809 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ADORA2A P29274 2/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ADORA1 P30542 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
SCHEMBL31098473 1.00 CCR1 (0.44) CCR1HRH4GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL21814461 0.98 GRIN2D (0.45) CCR1HRH4GRIN2DGRIN3BGRIN1
SCHEMBL522024 0.87 HRH4 (0.46) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL486201 0.87 CCR1 (0.55) CCR1HRH4GRIN2DGRIN3BGRIN1
SCHEMBL28610171 0.85 HRH4 (0.44) HRH4GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL10753045 0.85 GRIN2D (0.48) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24618443 0.82 HRH1 (0.47) CCR1HRH4GRIN2DGRIN3BGRIN1
SCHEMBL29792037 0.82 HRH1 (0.47) CCR1HRH4GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL30951158 0.80 HRH1 (0.45) CCR1HRH4GRIN2DGRIN3BGRIN1
SCHEMBL25236931 0.79 KCNH2 (0.47) HRH4GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4006033-A1 ADENOSINE RECEPTOR ANTAGONIST Xiamen Biotime Biotechnology Co., Ltd. (CN) 2022-06-01 EP disclosed
EP-3253390-B1 AMINOQUINAZOLINE COMPOUNDS AS A2A ANTAGONIST MERCK SHARP & DOHME (US) 2022-04-13 EP disclosed
CN-113563245-A Substituted pyrrolidine compounds and application thereof in medicines 广东东阳光药业有限公司 2021-10-29 CN disclosed
WO-2020068583-A1 PROCESSES FOR MAKING TRIAZOLO [4,5D] PYRAMIDINE DERIVATIVES AND INTERMEDIATES THEREOF CORVUS PHARMACEUTICALS, INC. (US) 2020-04-02 WO disclosed
WO-2020068583-A1 PROCESSES FOR MAKING TRIAZOLO [4,5D] PYRAMIDINE DERIVATIVES AND INTERMEDIATES THEREOF CORVUS PHARMACEUTICALS, INC. (US) 2020-04-02 WO disclosed
US-10441946-B2 Linear alpha-olefin catalysts and preparation and use thereof APALENE TECHNOLOGY CO., LTD. (HANGZHOU) (CN) 2019-10-15 US disclosed
US-10138212-B2 Aminoquinazoline compounds as A2A antagonist MERCK SHARP & DOHME CORP. (US) 2018-11-27 US disclosed
EP-1551511-B1 HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES BRISTOL MYERS SQUIBB CO (US) 2018-10-24 EP disclosed
US-20180147571-A1 NOVEL LINEAR ALPHA-OLEFIN CATALYSTS AND PREPARATION AND USE THEREOF APALENE TECHNOLOGY CO., LTD. (JIAXING) (CN) 2018-05-31 US disclosed
US-20180147571-A1 NOVEL LINEAR ALPHA-OLEFIN CATALYSTS AND PREPARATION AND USE THEREOF APALENE TECHNOLOGY CO., LTD. (JIAXING) (CN) 2018-05-31 US disclosed
EP-1720553-A1 PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONIST VERNALIS (R&D) LTD (GB) 2006-11-15 EP disclosed
EP-1551511-A4 HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES BRISTOL MYERS SQUIBB CO (US) 2006-08-23 EP disclosed
US-20060079549-A1 Heterocyclic aromatic compounds useful as growth hormone secretagogues YU GUIXUE 2006-04-13 US disclosed
US-20060063798-A1 Heterocyclic aromatic compounds useful as growth hormone secretagogues YU GUIXUE 2006-03-23 US disclosed
WO-2005079801-A1 PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONIST VERNALIS (R & D) LTD (GB) 2005-09-01 WO disclosed
EP-1551511-A2 HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES Bristol-Myers Squibb Company (US) 2005-07-13 EP disclosed
US-20040147568-A1 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY 2004-07-29 US disclosed
WO-2004021984-A2 HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-18 WO disclosed
EP-0527131-A1 CHELANTS NYCOMED SALUTAR, INC. (US) 1993-02-17 EP disclosed
WO-1991010645-A2 CHELANTS COCKBAIN, JULIAN, RODERICK, MICHAELSON (GB) 1991-07-25 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 (6 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-20180147571-A1 NOVEL LINEAR ALPHA-OLEFIN CATALYSTS AND PREPARATION AND USE THEREOF UBE2L3, RNF168, AGL CCR1 1444/4885HRH4 2233/4885GRIN2D 2365/4885
US-20060079549-A1 Heterocyclic aromatic compounds useful as growth hormone secretagogues GHSR, GHRHR, NPY1R CCR1 1623/4885HRH4 211/4885GRIN2D 3810/4885
US-20060063798-A1 Heterocyclic aromatic compounds useful as growth hormone secretagogues GHSR, GHRHR, NPY1R CCR1 1623/4885HRH4 211/4885GRIN2D 3810/4885
US-20040147568-A1 Heterocyclic aromatic compounds useful as growth hormone secretagogues GHSR, GHRHR, MUSK CCR1 1196/4885HRH4 257/4885GRIN2D 3413/4885
US-10441946-B2 Linear alpha-olefin catalysts and preparation and use thereof UBE2L3, COG8, ACSL3 CCR1 1604/4885HRH4 2508/4885GRIN2D 2659/4885
US-10138212-B2 Aminoquinazoline compounds as A2A antagonist ADORA2A, ADORA2B, ADORA3 CCR1 2146/4885HRH4 174/4885GRIN2D 171/4885

“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.