SCHEMBL1712592

SCHEMBL1712592

O=C(NC1CCC(O)CC1)C(c1c2ccccc2nn1-c1ccc(Cl)cc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 9/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
KCNH2 Q12809 1/20 0.44
CNR1 P21554 2/20 0.42
CNR2 P34972 1/20 0.42
ADORA3 P0DMS8 2/20 0.40
C3AR1 Q16581 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
ADORA1 P30542 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 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
SCHEMBL1712590 1.00 NR1H4 (0.46) NR1H4CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL2349507 0.94 NR1H4 (0.49) NR1H4CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL2346833 0.86 TSHR (0.46) NR1H4CYP3A4ADORA3HTTMEN1
SCHEMBL1712136 0.85 ADORA3 (0.44) NR1H4CYP3A4CYP2D6CYP2C9CNR1
SCHEMBL1712358 0.81 NR1H4 (0.46) NR1H4CYP3A4CYP2D6CYP2C9ADORA3
SCHEMBL2349518 0.81 NR1H4 (0.49) NR1H4CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL2345795 0.81 NR1H4 (0.49) NR1H4CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL1712275 0.80 NR1H4 (0.42) NR1H4CYP3A4CYP2C9KCNH2CNR1
SCHEMBL1712658 0.80 NR1H4 (0.52) NR1H4CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL1712075 0.78 ADORA3 (0.45) NR1H4CYP2D6CNR1CNR2ADORA3

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 10 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 claimed
US-8008505-B2 Indazole or 4,5,6,7-tetrahydro-indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-30 US claimed
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 claimed
US-20100076027-A1 INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-03-25 US claimed
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 NR1H4 1/4885CYP3A4 36/4885CYP2D6 129/4885

“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.