SCHEMBL3436817

SCHEMBL3436817

CN1C[C@H](CO)[C@@H](c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HTR2C P28335 4/20 0.40
HTR2B P41595 3/20 0.39
HTR2A P28223 2/20 0.39
MAOB P27338 1/20 0.39
GBA1 P04062 1/20 0.39
CHRM4 P08173 1/20 0.38
CHRM3 P20309 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
SCHEMBL4759732 0.85 SLC6A3 (0.54) SLC6A2SLC6A4SLC6A3
SCHEMBL4759736 0.85 SLC6A3 (0.54) SLC6A2SLC6A4SLC6A3
SCHEMBL5459468 0.85 SLC6A3 (0.54) SLC6A2SLC6A4SLC6A3
SCHEMBL2882981 0.85 SLC6A3 (0.54) SLC6A2SLC6A4SLC6A3
SCHEMBL5459465 0.85 SLC6A3 (0.54) SLC6A2SLC6A4SLC6A3
SCHEMBL8782526 0.83 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL8782674 0.83 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL8782533 0.83 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL9137150 0.83 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL9137154 0.83 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HTR2CHTR2B

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
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP disclosed
WO-2007113155-A1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC Β-ARYL OR HETEROARYL CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-11 WO 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 MEN1 4778/4885KMT2A 1707/4885SLC6A2 2876/4885

“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.