SCHEMBL1712409

SCHEMBL1712409

O=C(c1c2cc(F)c(F)cc2nn1-c1ccc(Cl)cc1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
CNR1 P21554 2/20 0.39
CNR2 P34972 1/20 0.39
MGLL Q99685 3/20 0.38
KCNH2 Q12809 3/20 0.37
NR1H4 Q96RI1 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
FAAH O00519 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL1712321 0.83 ESR2 (0.47) CHRNA7CNR1CNR2MGLLALDH1A1
SCHEMBL1712381 0.76 NR1H4 (0.42) CNR1CNR2KCNH2NR1H4CYP3A4
SCHEMBL1712288 0.75 NR1H4 (0.39) CNR1CNR2KCNH2NR1H4CYP3A4
SCHEMBL1093355 0.74 ADORA3 (0.44) CNR1CNR2KCNH2NR1H4CYP3A4
SCHEMBL1712290 0.74 ESR2 (0.44) SMN1; SMN2RAB9AKMT2AMEN1ATM
SCHEMBL1712658 0.74 NR1H4 (0.52) CNR1CNR2KCNH2NR1H4CYP3A4
SCHEMBL1712308 0.73 NR1H4 (0.43) CNR1CNR2KCNH2NR1H4CYP3A4
SCHEMBL1712236 0.72 TBXA2R (0.38) CNR1CNR2NR1H4KMT2AMEN1
SCHEMBL1712654 0.71 NR1H4 (0.38) CNR1CNR2KCNH2NR1H4CYP3A4
SCHEMBL1093069 0.69 SRC (0.43) ALDH1A1SMN1; SMN2RAB9AKMT2AMEN1

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 5 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
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 CHRNA7 1966/4885CNR1 181/4885CNR2 228/4885

“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.