SCHEMBL710589

SCHEMBL710589

CC(C)C(N)=CC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
CYP1A1 P04798 8/20 0.47
CYP1B1 Q16678 8/20 0.47
MAOB P27338 3/20 0.45
GSK3B P49841 2/20 0.45
P4HB P07237 1/20 0.44
SRD5A2 P31213 1/20 0.42
PTPN1 P18031 1/20 0.41
PTGS1 P23219 1/20 0.40

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
SCHEMBL970479 0.85 CYP1A1 (0.46) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL970477 0.85 CYP1A1 (0.46) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL2271846 0.81 NR4A1 (0.57) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL2271850 0.81 NR4A1 (0.57) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL10038015 0.80 ALDH1A1 (0.53) CES2CES1CYP1B1MAOB
SCHEMBL10073423 0.75 CYP1A1 (0.51) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL9619495 0.75 MAPT (0.66) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL29089422 0.74 CYP1A1 (0.56) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL11625967 0.74 CES2 (0.55) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL13864065 0.74 NFE2L2 (0.59) NR4A1NR4A2NR4A3CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142728-A1 CHEMICAL COMPOUND AND ITS USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-07 US disclosed
US-8124775-B2 Tetrahydroquinoline compound; cardiovascular disorders; arteriosclerosis BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-28 US disclosed
US-8124775-B2 Tetrahydroquinoline compound; cardiovascular disorders; arteriosclerosis BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-28 US disclosed
US-20080255068-A1 Tetrahydroquinoline compound; cardiovascular disorders; arteriosclerosis BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080255068-A1 Tetrahydroquinoline compound; cardiovascular disorders; arteriosclerosis BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080194609-A1 Chemical Compound and Its Use BAYER HEATHCARE AG (DE) 2008-08-14 US disclosed
US-20080194609-A1 Chemical Compound and Its Use BAYER HEATHCARE AG (DE) 2008-08-14 US disclosed
US-20050043341-A1 3-'Hydroxy-(-4-trifluoromethylphenyl)-methyl-7-spirocyclobutyl-5,6,7 8-tetrahydroquinolin-5-ol derivatives and the use of the same as cholesterol ester transfer protein (cetp) inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-02-24 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 (4 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-20050043341-A1 3-'Hydroxy-(-4-trifluoromethylphenyl)-methyl-7-spirocyclobutyl-5,6,7 8-tetrahydroquinolin-5-ol derivatives and the use of the same as cholesterol ester transfer protein (cetp) inhibitors CETP, MTTP, HDLBP NR4A1 352/4885NR4A2 328/4885NR4A3 238/4885
US-20120142728-A1 CHEMICAL COMPOUND AND ITS USE CETP, MTTP, LCAT NR4A1 1553/4885NR4A2 1084/4885NR4A3 1300/4885
US-20080255068-A1 Tetrahydroquinoline compound; cardiovascular disorders; arteriosclerosis CETP, MTTP, HDLBP NR4A1 1259/4885NR4A2 938/4885NR4A3 1037/4885
US-20080194609-A1 Chemical Compound and Its Use CETP, MTTP, LCAT NR4A1 1089/4885NR4A2 830/4885NR4A3 906/4885

“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.