SCHEMBL1712562

SCHEMBL1712562

OCC(c1c2ccccc2nn1-c1ccc(Cl)cc1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.43
NR1H4 Q96RI1 5/20 0.41
ESR2 Q92731 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRA2 P47869 1/20 0.39
ADORA1 P30542 1/20 0.39
CNR1 P21554 3/20 0.36
CNR2 P34972 2/20 0.36
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA2A P29274 1/20 0.34
IDO1 P14902 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL1712075 0.85 ADORA3 (0.45) ADORA3NR1H4ESR2GABRA1GABRA2
SCHEMBL27823558 0.84 NR1H4 (0.47) ADORA3NR1H4ESR2GABRA1GABRA2
SCHEMBL1712308 0.84 NR1H4 (0.43) NR1H4CNR1CNR2
SCHEMBL1712136 0.81 ADORA3 (0.44) ADORA3NR1H4ESR2ADORA1CNR1
SCHEMBL2349507 0.78 NR1H4 (0.49) ADORA3NR1H4ADORA1CNR1CNR2
SCHEMBL1712275 0.78 NR1H4 (0.42) ADORA3NR1H4CNR1CNR2NPC1
SCHEMBL1712063 0.78 NR1H4 (0.52) ADORA3NR1H4GABRA1GABRA2CNR1
SCHEMBL1712215 0.77 NR1H4 (0.60) NR1H4GABRA1GABRA2CNR1CNR2
SCHEMBL2382733 0.77 NR1H4 (0.62) NR1H4GABRA1GABRA2CNR1CNR2
SCHEMBL2382394 0.77 NR1H4 (0.60) NR1H4GABRA1GABRA2CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344459-B1 2,3-SUBSTITUTED INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLES AS FXR MODULATORS AGAINST DYSLIPIDEMIA AND RELATED DISEASES HOFFMANN LA ROCHE (CH) 2013-12-25 EP disclosed
US-8008505-B2 Indazole or 4,5,6,7-tetrahydro-indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-30 US disclosed
CN-102164899-A 2, 3-substituted indazoles or 4,5,6, 7-tetrahydro-indazoles as FXR modulators against dyslipidemia and related diseases HOFFMANN LA ROCHE 2011-08-24 CN disclosed
EP-2344459-A1 2,3-SUBSTITUTED INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLES AS FXR MODULATORS AGAINST DYSLIPIDEMIA AND RELATED DISEASES F. Hoffmann-La Roche AG (CH) 2011-07-20 EP disclosed
WO-2010034649-A1 2,3-SUBSTITUTED INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLES AS FXR MODULATORS AGAINST DYSLIPIDEMIA AND RELATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2010-04-01 WO disclosed
US-20100076027-A1 INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-03-25 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 (1 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-20100076027-A1 INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES NR1H4, ABCB11, FXR1 ADORA3 35/4885NR1H4 1/4885ESR2 748/4885

“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.