SCHEMBL3369699

SCHEMBL3369699

CC(Oc1cc(C(F)(F)F)ccn1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.43
ABCB11 O95342 1/20 0.42
SORT1 Q99523 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FPR2 P25090 1/20 0.41
SCN9A Q15858 1/20 0.41
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MGLL Q99685 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
ADRB2 P07550 1/20 0.38
P2RX3 P56373 1/20 0.38
PDK2 Q15119 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL4688744 0.87 FPR2 (0.48) SORT1ALDH1A1GAAL3MBTL1FPR2
SCHEMBL3371910 0.86 SORT1 (0.46) SORT1ALDH1A1GAAL3MBTL1FPR2
Hydrochloric Acid SCHEMBL10660850 0.86 SCN9A (0.49) GAAFPR2SCN9ATDP1P2RX3
SCHEMBL11007973 0.85 KMT2A (0.48) PTGDR2ABCB11FPR2SCN9AMGLL
SCHEMBL13019909 0.81 NOS3 (0.47) SORT1ALDH1A1GAAL3MBTL1FPR2
SCHEMBL15992556 0.78 TDP1 (0.47) ALDH1A1GAANOS3NOS2TDP1
SCHEMBL3523378 0.78 LMNA (0.49) PTGDR2NPSR1
SCHEMBL3523381 0.78 LMNA (0.49) PTGDR2NPSR1
SCHEMBL16458320 0.76 NOS3 (0.46) SORT1ALDH1A1GAAL3MBTL1FPR2
SCHEMBL27851782 0.75 ALDH1A1 (0.49) SORT1ALDH1A1GAAL3MBTL1FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4745129-A2 COMPOUND HAVING CYCLIC STRUCTURE Daiichi Sankyo Company, Limited (JP) 2026-05-20 EP disclosed
EP-3682881-B1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO CO LTD (JP) 2026-04-01 EP disclosed
US-12297187-B2 Compound having cyclic structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-05-13 US disclosed
US-20230331700-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-10-19 US disclosed
US-11512067-B2 Compound having cyclic structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-11-29 US disclosed
US-20200347030-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-11-05 US disclosed
EP-3682881-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-07-22 EP disclosed
CN-111094255-A Compound having cyclic structure 第一三共株式会社 2020-05-01 CN disclosed
EP-1575901-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
EP-1496838-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2010-11-03 EP disclosed
US-7348456-B2 Substituted amides MERCK & CO., INC. (US) 2008-03-25 US disclosed
WO-2007136571-A1 PRO-DRUGS OF TERTIARY ALCOHOLS MERCK & CO., INC. (US) 2007-11-29 WO disclosed
US-20060106071-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-05-18 US disclosed
US-6972295-B2 Substituted amides MERCK & CO., INC. (US) 2005-12-06 US disclosed
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 US disclosed
EP-1575901-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (a New Jersey corp.) (US) 2005-09-21 EP disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2004058145-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2004-07-15 WO disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 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 (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-20060106071-A1 Substituted amides CNR1, CNR2, FAAH PTGDR2 433/4885ABCB11 1755/4885SORT1 3485/4885
US-12297187-B2 Compound having cyclic structure H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B PTGDR2 124/4885ABCB11 180/4885SORT1 4529/4885
US-20200347030-A1 COMPOUND HAVING CYCLIC STRUCTURE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B PTGDR2 124/4885ABCB11 180/4885SORT1 4529/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG PTGDR2 610/4885ABCB11 1316/4885SORT1 3240/4885
US-11512067-B2 Compound having cyclic structure H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B PTGDR2 124/4885ABCB11 180/4885SORT1 4529/4885
US-20230331700-A1 COMPOUND HAVING CYCLIC STRUCTURE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ECE1, IL1B PTGDR2 124/4885ABCB11 180/4885SORT1 4529/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH PTGDR2 433/4885ABCB11 1755/4885SORT1 3485/4885

“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.