SCHEMBL6112007

SCHEMBL6112007

CCCCCC(CCC)OC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.44
GPR84 Q9NQS5 5/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 1/20 0.39
FFAR1 O14842 1/20 0.39
MAPT P10636 2/20 0.39
ZDHHC7 Q9NXF8 1/20 0.39
MAPK1 P28482 1/20 0.39
LAP3 P28838 2/20 0.38
TP53 P04637 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
GRIK1 P39086 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
GRIK2 Q13002 1/20 0.38
FAAH O00519 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL29789502 0.98 CTSK (0.42) CTSKGPR84CA2FFAR1MAPT
SCHEMBL20835181 0.98 CTSK (0.42) CTSKGPR84CA2FFAR1MAPT
SCHEMBL10844707 0.96 GPR84 (0.42) GPR84CA1CA2FFAR1MAPT
SCHEMBL21300541 0.94 GPR84 (0.45) GPR84CA2FFAR1MAPTZDHHC7
SCHEMBL22005296 0.94 GPR84 (0.45) GPR84CA2FFAR1MAPTZDHHC7
SCHEMBL5013944 0.94 GPR84 (0.45) GPR84CA2FFAR1MAPTZDHHC7
SCHEMBL5012509 0.94 GPR84 (0.45) GPR84CA2FFAR1MAPTZDHHC7
SCHEMBL4856250 0.94 CA1 (0.45) CTSKGPR84CA1CA2FFAR1
SCHEMBL2436142 0.94 GPR84 (0.45) GPR84CA2FFAR1MAPTZDHHC7
SCHEMBL10935542 0.94 CTSK (0.49) CTSKCA1CA2MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782407-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-10-10 US disclosed
US-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-08-06 US disclosed
US-9040558-B2 Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-05-26 US disclosed
US-20060178514-A1 Novel benzylamine derivatives as CETP inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2006-08-10 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 (2 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-20150216866-A1 SUBSTITUTED BENZYLAMINO QUINOLINES AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS CETP, NPC1, MTTP CTSK 1438/4885GPR84 1592/4885CA1 4764/4885
US-20060178514-A1 Novel benzylamine derivatives as CETP inhibitors CETP, NPC1, LIPC CTSK 449/4885GPR84 1448/4885CA1 4881/4885

“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.