SCHEMBL3833768

SCHEMBL3833768

O=C(c1ccc(Cl)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.63
PPARG P37231 2/20 0.63
FABP2 P12104 1/20 0.63
SLC22A12 Q96S37 1/20 0.63
HPGD P15428 2/20 0.59
ELANE P08246 1/20 0.56
MAPT P10636 3/20 0.55
MAPK1 P28482 2/20 0.55
MEN1 O00255 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
KMT2A Q03164 2/20 0.55
USP2 O75604 1/20 0.55
ABCB11 O95342 1/20 0.55
LMNA P02545 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2C9 P11712 1/20 0.55
ADRB3 P13945 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL4475347 0.90 NPC1 (0.60) PPARAPPARGFABP2SLC22A12ELANE
Hydrochloric Acid SCHEMBL3539826 0.88 NPC1 (0.58) PPARAPPARGFABP2SLC22A12ELANE
SCHEMBL8745850 0.87 PPARA (0.61) PPARAPPARGFABP2SLC22A12HPGD
SCHEMBL30657556 0.86 PPARA (0.69) PPARAPPARGFABP2SLC22A12HPGD
SCHEMBL11107228 0.84 PPARA (0.58) PPARAPPARGFABP2SLC22A12HPGD
SCHEMBL255564 0.84 CCR6 (0.50) PPARAMAPTMEN1CYP1A2CYP3A4
SCHEMBL4602009 0.83 ELANE (0.56) PPARGELANENPC1RAB9ASRD5A2
SCHEMBL22721360 0.83 EPHX2 (0.62) TSHRNPC1RAB9ASRD5A2TRPV1
SCHEMBL5541822 0.83 ESR1 (0.58) HPGDELANEMAPTMAPK1LMNA
SCHEMBL7929195 0.83 NPC1 (0.54) NPC1RAB9ATRPV1EPHX2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682940-B2 Indazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
WO-2017034872-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO disclosed
US-20170057925-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 US disclosed
EP-2104677-B1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-12-07 EP disclosed
EP-2104677-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
US-7498339-B2 Spiropiperidine glycinamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-03-03 US disclosed
US-20080194610-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 US disclosed
WO-2008084005-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-17 WO disclosed
US-20080171759-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-17 US disclosed
US-20080171760-A1 e.g. N-[(4-Chlorophenyl)(phenyl)methyl]-2-oxo-2-(1'H,3H-spiro[2-indane-1,4'-piperidin]-1'-yl)ethanamine; vasopressin V1a receptor antagonist; antidepressant, anxiolytic, hypotensive agent; dysmenorrhea, chronic heart failure, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE, INC. 2008-07-17 US disclosed
EP-0757671-A1 PERHALOALKOXYBENZENOPHENONE HYDRAZONES AND THEIR USE AS PESTICIDES Novartis AG (CH) 1997-02-12 EP disclosed
WO-1995029889-A1 PERHALOALKOXYBENZENOPHENONE HYDRAZONES AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1995-11-09 WO disclosed
US-4446078-A REACTING A POLYHALOALKOXY- OR POLYHALOALKYLTHIOBENZENE WITH A CARBOXYLIC DERIVATIVE, BORON TRIFLUORIDE RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-05-01 US disclosed
US-4438043-A Process for preparation of di- or trifluoromethoxyphenyl ketones or di- or trifluoromethylthiophenyl ketones RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 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-20080194610-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES AVPR1A, AVPR1B, GLRA1 PPARA 1199/4885PPARG 958/4885FABP2 4774/4885
US-20080171760-A1 e.g. N-[(4-Chlorophenyl)(phenyl)methyl]-2-oxo-2-(1'H,3H-spiro[2-indane-1,4'-piperidin]-1'-yl)ethanamine; vasopressin V1a receptor antagonist; antidepressant, anxiolytic, hypotensive agent; dysmenorrhea, chronic heart failure, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder AVPR1A, AVPR2, AVPR1B PPARA 2528/4885PPARG 2888/4885FABP2 2819/4885
US-20080171759-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES AVPR1A, AVPR1B, GLRA1 PPARA 1199/4885PPARG 958/4885FABP2 4774/4885
US-20170057925-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 PPARA 171/4885PPARG 85/4885FABP2 396/4885

“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.