SCHEMBL3263615

SCHEMBL3263615

O=[C]N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.58
ADRA2A P08913 3/20 0.58
CHRM1 P11229 3/20 0.58
DRD1 P21728 3/20 0.58
DRD3 P35462 3/20 0.58
SLC6A3 Q01959 3/20 0.58
KCNH2 Q12809 3/20 0.58
OPRM1 P35372 3/20 0.58
CYP2D6 P10635 2/20 0.58
CHRM4 P08173 1/20 0.58
CHRM5 P08912 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CHRM3 P20309 1/20 0.58
ADRA1D P25100 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
HRH1 P35367 1/20 0.58
HTR2B P41595 1/20 0.58
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.53

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
SCHEMBL8175607 0.83 OPRM1 (0.78) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL8186671 0.83 OPRM1 (0.78) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL7977689 0.83 OPRM1 (0.78) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL3919536 0.83 OPRM1 (0.78) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL3263282 0.83 GPX4 (0.58) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL3261748 0.81 ACHE (0.54) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL7081283 0.81 CHRM2 (0.58) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL467087 0.78 OPRM1 (0.64) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL6031459 0.77 KMT2A (0.61) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL9706697 0.76 KCNH2 (0.65) CHRM2ADRA2ACHRM1DRD1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146991-B1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-07-28 EP disclosed
EP-2146991-A2 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-01-27 EP disclosed
WO-2008145842-A2 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-12-04 WO disclosed
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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 (2 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR CHRM2 1490/4885ADRA2A 951/4885CHRM1 921/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CHRM2 2467/4885ADRA2A 951/4885CHRM1 1055/4885

“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.