SCHEMBL883798

SCHEMBL883798

CNC(=O)c1ccc(F)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.61
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
PYGL P06737 10/20 0.51
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
GAA P10253 1/20 0.47
CTSL P07711 1/20 0.47

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
SCHEMBL7985019 0.85 SMN1; SMN2 (0.54) HPGDRAB9AGAA
Methylamine SCHEMBL7258774 0.82 SMN1; SMN2 (0.51) HPGDPYGLGAA
SCHEMBL3147754 0.81 KDM4E (0.68) HPGDNPC1RAB9APYGLFLT1
SCHEMBL4154496 0.81 KDM4E (0.67) HPGDNPC1RAB9APYGLFLT1
SCHEMBL29833777 0.81 KDM4E (0.67) HPGDNPC1RAB9APYGLFLT1
SCHEMBL909599 0.81 CES2 (0.61) NPC1RAB9AGAA
SCHEMBL6417292 0.81 POLB (0.66) HPGDNPC1RAB9APYGLFLT1
SCHEMBL883797 0.81 NPC1 (0.59) HPGDNPC1RAB9APYGLCTSL
SCHEMBL883600 0.81 HPGD (0.56) HPGDNPC1RAB9APYGLGAA
SCHEMBL17143174 0.80 PYGL (0.54) HPGDRAB9APYGLGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526203-B1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2021-09-22 EP disclosed
US-20210161869-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-10966967-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2021-03-30 US disclosed
EP-3383853-B1 HOMOBISPIPERIDINYL DERIVATIVES AS LIVER X RECEPTOR (LXR) BETA AGONISTS FOR TREATING E.G. ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2020-11-04 EP disclosed
EP-3383853-B1 HOMOBISPIPERIDINYL DERIVATIVES AS LIVER X RECEPTOR (LXR) BETA AGONISTS FOR TREATING E.G. ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2020-11-04 EP disclosed
US-20200281905-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-09-10 US disclosed
US-10752587-B2 Homobispiperidinyl derivatives as liver X receptor beta agonists, compositions and their use MERCK SHARP & DOHME CORP. (US) 2020-08-25 US disclosed
US-10752587-B2 Homobispiperidinyl derivatives as liver X receptor beta agonists, compositions and their use MERCK SHARP & DOHME CORP. (US) 2020-08-25 US disclosed
US-10695328-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-30 US disclosed
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO disclosed
EP-1171419-B1 BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR HOFFMANN LA ROCHE (CH) 2004-12-29 EP disclosed
CN-1152006-C Biphenyl derivatives - 2004-06-02 CN disclosed
US-6552088-B2 2'-methyl-biphenyl-2-carboxylic acid-(3,5-bis-trifluoromethyl-benzyl)-methyl-amide, for example; treating disease related to neurokinin 1 receptor HOFFMANN-LA ROCHE INC. 2003-04-22 US disclosed
US-20020040060-A1 Biphenyl derivatives BOS MICHAEL (CA) 2002-04-04 US disclosed
CN-1343197-A Biphenyl derivatives as neurokinin-1 receptor antagonists HOFFMANN LA ROCHE (CH) 2002-04-03 CN disclosed
EP-1171419-A1 BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-01-16 EP disclosed
US-6291465-B1 Biphenyl derivatives HOFFMANN-LA ROCHE INC. 2001-09-18 US disclosed
WO-2000053572-A1 BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2000-09-14 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-10752587-B2 Homobispiperidinyl derivatives as liver X receptor beta agonists, compositions and their use NR1H2, NR1H3, NR1H4 HPGD 1249/4885NPC1 134/4885RAB9A 1109/4885
US-20020040060-A1 Biphenyl derivatives NR1H4, NR1H2, NR1H3 HPGD 2019/4885NPC1 181/4885RAB9A 2043/4885
US-20210161869-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 HPGD 951/4885NPC1 97/4885RAB9A 1973/4885
US-10966967-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors DGAT2, MGAT2, MGAT1 HPGD 951/4885NPC1 97/4885RAB9A 1973/4885
US-10695328-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors DGAT2, MGAT2, MGAT1 HPGD 951/4885NPC1 97/4885RAB9A 1973/4885
US-20200281905-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 HPGD 951/4885NPC1 97/4885RAB9A 1973/4885
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 HPGD 1749/4885NPC1 17/4885RAB9A 977/4885

“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.