SCHEMBL1712136

SCHEMBL1712136

O=C(O)C(c1c2ccccc2nn1-c1ccc(Cl)cc1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.44
ADORA1 P30542 1/20 0.40
NR1H4 Q96RI1 4/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 1/20 0.40
ESR2 Q92731 1/20 0.40
CCR1 P32246 1/20 0.39
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 2/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 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
SCHEMBL2349507 0.88 NR1H4 (0.49) ADORA3ADORA1NR1H4CNR1CNR2
SCHEMBL1712275 0.86 NR1H4 (0.42) ADORA3NR1H4CNR1CNR2KMT2A
SCHEMBL1712592 0.85 NR1H4 (0.46) ADORA3ADORA1NR1H4CNR1CNR2
SCHEMBL1712590 0.85 NR1H4 (0.46) ADORA3ADORA1NR1H4CNR1CNR2
SCHEMBL1712381 0.84 NR1H4 (0.42) NR1H4CNR1CNR2CYP3A4CYP2D6
SCHEMBL1712075 0.84 ADORA3 (0.45) ADORA3ADORA1NR1H4CNR1CNR2
SCHEMBL1712358 0.84 NR1H4 (0.46) ADORA3NR1H4KMT2AMEN1CYP3A4
SCHEMBL1712562 0.81 ADORA3 (0.43) ADORA3ADORA1NR1H4CNR1CNR2
SCHEMBL2346833 0.81 TSHR (0.46) ADORA3NR1H4KMT2AMEN1GAA
SCHEMBL1712362 0.80 NR1H4 (0.53) NR1H4CYP3A4CYP2D6CYP2C9

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 35/4885ADORA1 80/4885NR1H4 1/4885

“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.