SCHEMBL3263616

SCHEMBL3263616

O=CN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.60
CHRM4 P08173 2/20 0.60
CHRM5 P08912 2/20 0.60
ADRA2A P08913 2/20 0.60
ADORA3 P0DMS8 2/20 0.60
CYP2D6 P10635 2/20 0.60
CHRM1 P11229 2/20 0.60
CHRM3 P20309 2/20 0.60
DRD1 P21728 2/20 0.60
ADRA1D P25100 2/20 0.60
HTR2A P28223 2/20 0.60
HRH1 P35367 2/20 0.60
OPRM1 P35372 2/20 0.60
DRD3 P35462 2/20 0.60
HTR2B P41595 2/20 0.60
SLC6A3 Q01959 2/20 0.60
KCNH2 Q12809 2/20 0.60
HTR2C P28335 1/20 0.60
KMT2A Q03164 4/20 0.57
KDM4E B2RXH2 2/20 0.57

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
SCHEMBL3919536 0.85 OPRM1 (0.78) CHRM2CHRM4CHRM5ADRA2AADORA3
SCHEMBL8175607 0.85 OPRM1 (0.78) CHRM2CHRM4CHRM5ADRA2AADORA3
SCHEMBL8186671 0.85 OPRM1 (0.78) CHRM2CHRM4CHRM5ADRA2AADORA3
SCHEMBL7977689 0.85 OPRM1 (0.78) CHRM2CHRM4CHRM5ADRA2AADORA3
SCHEMBL3263286 0.83 CHRM2 (0.58) CHRM2ADRA2ACYP2D6CHRM1DRD1
SCHEMBL3261754 0.83 ACHE (0.54) CHRM2CHRM4CHRM5ADRA2AADORA3
SCHEMBL9097854 0.80 CYP2D6 (0.66) CHRM2CHRM4CHRM5ADRA2AADORA3
SCHEMBL21663527 0.80 OPRM1 (0.60) CHRM2CHRM4CHRM5ADRA2AADORA3
SCHEMBL5051944 0.79 CHRM2 (0.55) CHRM2CHRM4CHRM5ADRA2AADORA3
SCHEMBL8305212 0.79 CACNA2D1 (0.54) CHRM2CHRM4CHRM5ADRA2AADORA3

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 12 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
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
WO-2008145842-A2 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-12-04 WO disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP 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 (3 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS CHRM2 6/4885CHRM4 20/4885CHRM5 4/4885
US-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR CHRM2 1490/4885CHRM4 1437/4885CHRM5 2372/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CHRM2 2467/4885CHRM4 2871/4885CHRM5 3228/4885

“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.