SCHEMBL3550644

SCHEMBL3550644

O[C@H]1CC[C@H](c2ncco2)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.35
JAK2 O60674 2/20 0.33
JAK3 P52333 2/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.32
CCR2 P41597 1/20 0.31
FAAH O00519 1/20 0.30

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
SCHEMBL10437962 1.00 ESR2 (0.35) ESR2JAK2JAK3JAK1TYK2
SCHEMBL7032626 0.89 FAAH (0.31) JAK2JAK3TYK2FAAH
SCHEMBL5664401 0.89
SCHEMBL9021546 0.81 CYP2C19 (0.37) JAK2JAK1TYK2
SCHEMBL16397376 0.81
SCHEMBL17729359 0.80 SMYD3 (0.33) JAK2JAK3TYK2
SCHEMBL10419433 0.79 CYP2C19 (0.40) JAK2JAK1TYK2
SCHEMBL8551055 0.79 CYP2C19 (0.40) JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL9022156 0.79 CYP2C19 (0.36) JAK2JAK1TYK2
SCHEMBL16982375 0.79 CYP2C19 (0.40) JAK2JAK1TYK2

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 2 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 ESR2 1408/4885JAK2 2277/4885JAK3 1241/4885

“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.