SCHEMBL5129528

SCHEMBL5129528

CC[C@H](CC#N)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
MMP2 P08253 1/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KIF11 P52732 4/20 0.39
NAMPT P43490 2/20 0.39
HDAC1 Q13547 1/20 0.38
JAK2 O60674 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
SCHEMBL5357329 1.00 CA12 (0.41) CA12CA1MMP2ALDH1A1SMN1; SMN2
SCHEMBL5766910 0.85 CA1 (0.49) CA12CA1MMP2ALDH1A1SMN1; SMN2
SCHEMBL1259895 0.81 CA1 (0.41) CA12CA1MMP2ALDH1A1KIF11
SCHEMBL5424944 0.79 CCNT1 (0.50) CA12CA1MMP2SMN1; SMN2KIF11
SCHEMBL29245415 0.79 ESR1 (0.44) CA12CA1MMP2ALDH1A1SMN1; SMN2
SCHEMBL5359412 0.79 CCNT1 (0.50) CA12CA1MMP2SMN1; SMN2KIF11
SCHEMBL1734546 0.74 CA12 (0.46) CA12CA1MMP2ALDH1A1L3MBTL1
SCHEMBL14509044 0.74 CA12 (0.46) CA12CA1MMP2ALDH1A1KIF11
SCHEMBL1734544 0.74 CA12 (0.46) CA12CA1MMP2ALDH1A1L3MBTL1
SCHEMBL1937094 0.73 KIF11 (0.45) CA12CA1MMP2KIF11HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118998-A Preparation method of CETP inhibitor Obicetrapib (AMG-899) 上海相辉医药科技有限公司 2024-12-13 CN disclosed
US-20080269284-A1 Compounds and Methods for Treating Dyslipidemia ELI LILLY AND COMPANY (US) 2008-10-30 US disclosed
US-20080269284-A1 Compounds and Methods for Treating Dyslipidemia ELI LILLY AND COMPANY (US) 2008-10-30 US disclosed
CN-100357265-C Compounds useful as intermediates of 4-aminoquinoline deravative PFIZER PROD INC (US) 2007-12-26 CN disclosed
CN-1972927-A Compounds and methods for treating dyslipidemia LILLY CO ELI (US) 2007-05-30 CN disclosed
US-7223859-B2 Method for producing (R)-3-[4-(trifluoromethyl) phenylamino]-pentanoic acid amide derivative PFIZER INC. (US) 2007-05-29 US disclosed
US-7223870-B2 Methods for preparing N-arylated oxazolidinones via a copper catalyzed cross coupling reaction PFIZER INC. (US) 2007-05-29 US disclosed
US-7223870-B2 Methods for preparing N-arylated oxazolidinones via a copper catalyzed cross coupling reaction PFIZER INC. (US) 2007-05-29 US disclosed
US-7223870-B2 Methods for preparing N-arylated oxazolidinones via a copper catalyzed cross coupling reaction PFIZER INC. (US) 2007-05-29 US disclosed
EP-1761521-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2007-03-14 EP disclosed
US-6706881-B2 4-(METHOXYCARBONYL-AMINO)-2-ETHYL-6-TRIFLUOROMETHYL-3,4-DIHYDRO -2H-QUINOLINE-1-CARBOXYLIC ACID ETHYL ESTER IS REACTED WITH 3,5-BIS(TRIFLUOROMETHYL)BENZYL HALIDE IN BASE; ALKYLATION PFIZER, INC. 2004-03-16 US disclosed
US-6689897-B2 CHOLESTERYL ESTER TRANSFER PROTEIN PFIZER INC. 2004-02-10 US disclosed
EP-1383734-A2 COMPOUNDS USEFUL AS INTERMEDIATES FOR 4-AMINOQUINOLINE DERIVATIVES Pfizer Products Inc. (US) 2004-01-28 EP disclosed
WO-2002088069-A9 COMPOUNDS USEFUL AS INTERMEDIATES FOR 4-AMINOQUINOLINE DERIVATIVES PFIZER PROD INC (US) 2003-12-04 WO disclosed
US-20030216576-A1 Methods for preparing CETP inhibitors PFIZER INC. 2003-11-20 US disclosed
US-6600045-B2 This invention relates to methods for preparing certain cholesteryl ester transfer protein (CETP) inhibitors and intermediates useful in the preparation of said CETP inhibitors. PFIZER INC. 2003-07-29 US disclosed
US-20030073843-A1 Methods for preparing CETP inhibitors DAMON DAVID B (US) 2003-04-17 US disclosed
US-20020177716-A1 Intermediates of CETP inhibitors DAMON DAVID B (US) 2002-11-28 US disclosed
WO-2002088069-A2 COMPOUNDS USEFUL AS INTERMEDIATES FOR 4-AMINOQUINOLINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-11-07 WO disclosed
WO-2002088085-A2 METHODS AND INTERMEDIATES FOR PREPARING 4-AMINOQUINOLINE CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2002-11-07 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 (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-20030216576-A1 Methods for preparing CETP inhibitors CETP, LCAT, MTTP CA12 4274/4885CA1 4371/4885MMP2 2032/4885
US-20030073843-A1 Methods for preparing CETP inhibitors CETP, LCAT, MTTP CA12 4274/4885CA1 4371/4885MMP2 2032/4885
US-20020177716-A1 Intermediates of CETP inhibitors CETP, LCAT, MTTP CA12 4085/4885CA1 4556/4885MMP2 2452/4885
US-20080269284-A1 Compounds and Methods for Treating Dyslipidemia APOB, PCSK9, LIPC CA12 4614/4885CA1 4535/4885MMP2 3057/4885

“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.