SCHEMBL5820901

SCHEMBL5820901

CC[C@H]1C[C@@H](NC(=O)OCc2ccccc2)c2cc(C(F)(F)F)ccc2N1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.42
KCNQ2 O43526 1/20 0.42
MGLL Q99685 1/20 0.42
NAAA Q02083 3/20 0.41
TSHR P16473 1/20 0.41
PTGES O14684 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
CCR2 P41597 2/20 0.40
CCR3 P51677 1/20 0.40
HSD17B2 P37059 1/20 0.40
KIF11 P52732 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CPB1 P15086 1/20 0.38

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
SCHEMBL1176585 1.00 TACR1 (0.42) TACR1KCNQ2MGLLNAAATSHR
SCHEMBL1176583 1.00 TACR1 (0.42) TACR1KCNQ2MGLLNAAATSHR
SCHEMBL1176581 1.00 TACR1 (0.42) TACR1KCNQ2MGLLNAAATSHR
SCHEMBL2706185 1.00 TACR1 (0.42) TACR1KCNQ2MGLLNAAATSHR
SCHEMBL5474181 0.89 TACR1 (0.41) TACR1KCNQ2MGLLNAAATSHR
SCHEMBL14597712 0.89 TACR1 (0.41) TACR1KCNQ2MGLLNAAATSHR
SCHEMBL8060970 0.89 KCNQ2 (0.46) TACR1KCNQ2MGLLNAAATSHR
SCHEMBL8060977 0.89 KCNQ2 (0.46) TACR1KCNQ2MGLLNAAATSHR
SCHEMBL8060971 0.89 KCNQ2 (0.46) TACR1KCNQ2MGLLNAAATSHR
SCHEMBL8996389 0.88 HSD17B2 (0.45) NAAAHSD17B2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1607389-A1 4-protected-amino-2-substituted-1,2,3,4-tetrahydroquinolines as intermediates for CETP inhibitors Pfizer Products Inc. (US) 2005-12-21 EP claimed
US-6197786-B1 ANTICHOLESTEROL AGENTS PFIZER INC 2001-03-06 US claimed
US-20060270675-A1 Inhibitors of cholesterol ester transfer protein ARRAY BIOPHARMA INC. 2006-11-30 US disclosed
EP-1125929-B1 Method for making (-)-(2R,4S)-4-[(3,5-bis-trifluoromethyl-benzyl)-methoxycarbonylamino]-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid ethyl ester PFIZER PROD INC (US) 2006-01-04 EP disclosed
EP-1607389-A1 4-protected-amino-2-substituted-1,2,3,4-tetrahydroquinolines as intermediates for CETP inhibitors Pfizer Products Inc. (US) 2005-12-21 EP disclosed
US-20050245570-A1 4-carboxyamino-2-substituted-1,2,3,4-tetrahydroquinolines DENINNO MICHAEL P 2005-11-03 US disclosed
EP-1114031-B1 4-CARBOXYAMINO-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP disclosed
US-6906082-B2 4-carboxyamino-2-substituted-1,2,3,4-tetrahydroquinolines PFIZER INC. (US) 2005-06-14 US disclosed
EP-1114032-B1 4-AMINO SUBSTITUTED-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS PFIZER PROD INC (US) 2004-06-02 EP disclosed
US-20040092550-A1 4-carboxyamino-2-substituted-1,2,3,4-tetrahydroquinolines PFIZER INC. 2004-05-13 US disclosed
US-6586448-B1 Cholesteryl ester transfer protein inhibitors used as antilipemic agents for prophylaxis of cardiovascular disorders PFIZER INC. 2003-07-01 US disclosed
US-6489478-B1 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INHIBITORS AND THE USE OF SUCH INHIBITORS TO ELEVATE CERTAIN PLASMA LIPID LEVELS, INCLUDING HIGH DENSITY LIPOPROTEIN-CHOLESTEROL AND TO LOWER CERTAIN PFIZER INC. 2002-12-03 US disclosed
EP-1246804-A1 4-CARBOXYAMINO-2-ETHYL-1,2,3,4-TETRAHYDROQUINOLINE CRYSTAL AS CETP INHIBITOR Pfizer Products Inc. (US) 2002-10-09 EP disclosed
US-20020035125-A1 Therapeutic combination SHEAR CHARLES L (US) 2002-03-21 US disclosed
WO-2002013797-A2 THERAPEUTIC COMBINATION OF A CETP INHIBITOR AND ATORVASTATIN PFIZER PRODUCTS INC. (US) 2002-02-21 WO disclosed
US-6313142-B1 AS CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) INHIBITOR; FOR THERAPY OF ATHEROSCLEROSIS, PERIPHERAL VASCULAR DISEASE, DYSLIPIDEMIA, HYPERBETALIPOPROTEINEMIA, HYPOALPHALIPOPROTEINEMIA, HYPERCHOLESTEROLEMIA PFIZER INC. 2001-11-06 US disclosed
EP-1125929-A1 Method for making (-)-(2R,4S)-4-[(3,5-bis-trifluoromethyl-benzyl)-methoxycarbonylamino]-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid ethyl ester Pfizer Products Inc. (US) 2001-08-22 EP disclosed
WO-2001040190-A1 4-CARBOXYAMINO-2-ETHYL-1,2,3,4-TETRAHYDROQUINOLINE CRYSTAL AS CETP INHIBITOR PFIZER PRODUCTS INC. (US) 2001-06-07 WO disclosed
US-6197786-B1 ANTICHOLESTEROL AGENTS PFIZER INC 2001-03-06 US disclosed
US-6140343-A CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS WHICH ARE USED TO ELEVATE HIGHDENSITY LIPOPROTEIN-CHOLESTEROL AND TO LOWER LOW DENSITY LIPOPROTEIN-CHOLESTEROL AND TRIGLYCERIDES; FOR TREATING ATHEROSCLEROSIS, PERIPHERAL VASCULAR DISEASE, OBESITY PFIZER (US) 2000-10-31 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-20040092550-A1 4-carboxyamino-2-substituted-1,2,3,4-tetrahydroquinolines CETP, APOB, NR1H2 TACR1 1956/4885KCNQ2 1347/4885MGLL 200/4885
US-20050245570-A1 4-carboxyamino-2-substituted-1,2,3,4-tetrahydroquinolines CETP, APOB, HDLBP TACR1 4484/4885KCNQ2 1913/4885MGLL 137/4885
US-20060270675-A1 Inhibitors of cholesterol ester transfer protein CETP, LCAT, MTTP TACR1 3695/4885KCNQ2 2879/4885MGLL 81/4885
US-20020035125-A1 Therapeutic combination CETP, HMGCR, PCSK9 TACR1 1161/4885KCNQ2 2965/4885MGLL 178/4885

“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.