SCHEMBL9886100

SCHEMBL9886100

CCc1cc(C)c(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ SCN9A Q15858 1/20 0.36
▸ TSHR P16473 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ DHFR P00374 1/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ BRD9 Q9H8M2 2/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL24022028 0.91 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11936747 0.84 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17450427 0.83 CD44 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22964357 0.82 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15894534 0.81 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14191477 0.81 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24384653 0.81 DHFR (0.32) DHFR
SCHEMBL12800814 0.79 NOS3 (0.34) GRIN1GRIN2BTSHRNPSR1MCL1
SCHEMBL12811480 0.79 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12700588 0.79 NOS3 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227270-A2 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2017-10-11 — — EP disclosed
US-20160008362-A1 AGENT FOR PREVENTING AND/OR TREATING OCULAR INFLAMMATORY DISEASE KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-01-14 — — US disclosed
US-20140221340-A1 CHEMOKINE RECEPTOR ACTIVITY REGULATOR KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-08-07 — — US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 — — US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 — — US disclosed
US-8193365-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-06-05 — — US disclosed
US-20100249024-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-09-30 — — US disclosed
US-7737295-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-15 — — US disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 — — US disclosed
US-7652049-B2 1-benzyl-4-[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]imidazolidin-2-one; cholesteryl ester transfer protein inhibitor; raising HDL-cholesterol, reducing LDL-cholesterol; atherosclerosis; antiinflammatory agent; synergistic mixture with other active ingredients MERCK & CO., INC. (US) 2010-01-26 — — US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 — — US disclosed
US-20070225365-A1 Cetp Inhibitors MERCK & CO., INC. (US) 2007-09-27 — — US 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 (7 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP GRIN2D 4813/4885GRIN3B 4762/4885GRIN1 4678/4885
US-20070225365-A1 Cetp Inhibitors CETP, APOB, NPC1 GRIN2D 4867/4885GRIN3B 4838/4885GRIN1 4616/4885
US-20140221340-A1 CHEMOKINE RECEPTOR ACTIVITY REGULATOR CXCR2, ACKR3, CCR2 GRIN2D 2886/4885GRIN3B 1125/4885GRIN1 1333/4885
US-20160008362-A1 AGENT FOR PREVENTING AND/OR TREATING OCULAR INFLAMMATORY DISEASE NR0B1, NR2E3, NR0B2 GRIN2D 815/4885GRIN3B 324/4885GRIN1 192/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP GRIN2D 4813/4885GRIN3B 4762/4885GRIN1 4678/4885
US-20100249024-A1 CETP INHIBITORS CETP, APOB, NPC1 GRIN2D 4867/4885GRIN3B 4838/4885GRIN1 4616/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP GRIN2D 4813/4885GRIN3B 4762/4885GRIN1 4678/4885

“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.

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