SCHEMBL106691

SCHEMBL106691

O=C(Cl)CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.54
PDPK1 O15530 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52
PLAAT3 P53816 1/20 0.51
PLAAT5 Q96KN8 1/20 0.51
PLAAT2 Q9NWW9 1/20 0.51
PLAAT4 Q9UL19 1/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HRH3 Q9Y5N1 2/20 0.47
CNR1 P21554 2/20 0.47
MAOB P27338 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
DAO P14920 2/20 0.45
SRD5A2 P31213 1/20 0.45

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
SCHEMBL7332151 0.84 FFAR1 (0.57) FFAR1PDPK1TAAR1PLAAT3PLAAT5
SCHEMBL9135914 0.83 FFAR1 (0.50) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
Valine SCHEMBL2223830 0.83 SLC1A3 (0.45) FFAR1PDPK1TAAR1PLAAT3PLAAT5
SCHEMBL117230 0.82 FFAR1 (0.73) FFAR1PDPK1TAAR1PLAAT3PLAAT5
SCHEMBL11801516 0.82 FFAR1 (0.55) FFAR1PDPK1TAAR1PLAAT3PLAAT5
SCHEMBL4117126 0.81 NR1H4 (0.53) CNR1
SCHEMBL266389 0.81 ALDH1A1 (0.57) FFAR1PDPK1TAAR1PLAAT3PLAAT5
SCHEMBL5943817 0.81 FFAR1 (0.54) FFAR1PDPK1TAAR1PLAAT3PLAAT5
SCHEMBL2316007 0.81 TAAR1 (0.57) FFAR1PDPK1TAAR1PLAAT3PLAAT5
SCHEMBL12696328 0.81 TAAR1 (0.52) FFAR1PDPK1TAAR1PLAAT3PLAAT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 WO disclosed
EP-2623101-B1 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2021-04-21 EP disclosed
US-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-05-26 US disclosed
US-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-05-26 US disclosed
EP-2935249-B1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2018-12-12 EP disclosed
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-08-02 US disclosed
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-08-02 US disclosed
US-9878999-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-01-30 US disclosed
US-9878999-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-01-30 US disclosed
CN-104968656-B autotaxin inhibitors 诺华股份有限公司 2017-08-11 CN disclosed
EP-2193118-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES FOR TREATING TUMOURS Merck Patent GmbH (DE) 2010-06-09 EP disclosed
CN-101627007-A Aminoamides as orexin antagonists HOFFMANN LA ROCHE 2010-01-13 CN disclosed
EP-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2009046841-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES FOR TREATING TUMOURS MERCK PATENT GMBH (DE) 2009-04-16 WO disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 US disclosed
US-7084156-B2 2-Aminoquinoline compounds MERCK & CO., INC. (US) 2006-08-01 US disclosed
US-20050026915-A1 2-Aminoquinoline compounds MERCK SHARP & DOHME CORP. 2005-02-03 US disclosed
EP-1450801-A2 2-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP disclosed
WO-2003045313-A2 2-AMINOQUINOLINE COMPOUNDS MERCK & CO. INC. (US) 2003-06-05 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-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs PSMB3, PSME3, PSMD3 FFAR1 3620/4885PDPK1 1120/4885TAAR1 3619/4885
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS PSMB3, PSME3, PSMD3 FFAR1 3620/4885PDPK1 1120/4885TAAR1 3619/4885
US-20050026915-A1 2-Aminoquinoline compounds MCHR1, MCHR2, MC5R FFAR1 209/4885PDPK1 3149/4885TAAR1 38/4885
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 FFAR1 189/4885PDPK1 2854/4885TAAR1 34/4885

“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.