SCHEMBL2103545

SCHEMBL2103545

O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(O)CC1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.70
CYP2D6 P10635 1/20 0.70
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
MGLL Q99685 3/20 0.58
FAAH O00519 1/20 0.56

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
SCHEMBL10459207 0.87 CYP1A2 (0.69) CYP1A2CYP2D6MGLL
SCHEMBL26042174 0.85 CYP1A2 (0.69) CYP1A2CYP2D6MGLLFAAH
SCHEMBL18424173 0.85 CYP1A2 (0.73) CYP1A2CYP2D6MGLLFAAH
SCHEMBL4000173 0.85 CYP1A2 (0.66) CYP1A2CYP2D6MGLLFAAH
SCHEMBL636977 0.85 CYP1A2 (0.66) CYP1A2CYP2D6MGLLFAAH
SCHEMBL2106015 0.85 CYP1A2 (0.66) CYP1A2CYP2D6MGLLFAAH
SCHEMBL14389738 0.84 CYP1A2 (0.65) CYP1A2CYP2D6MGLLFAAH
SCHEMBL640619 0.84 CYP1A2 (0.76) CYP1A2CYP2D6NPC1RAB9AMGLL
SCHEMBL8483965 0.83 MAPT (0.65) CYP1A2CYP2D6MGLL
SCHEMBL4018355 0.83 CYP1A2 (1.00) CYP1A2CYP2D6MGLLFAAH

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
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
EP-2251341-A1 Heterocyclic Janus kinase 3 inhibitors Astellas Pharma Inc. (JP) 2010-11-17 EP disclosed
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-22 US disclosed
EP-1910358-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS Astellas Pharma Inc. (JP) 2008-04-16 EP disclosed
WO-2007007919-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-01-18 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-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK2, JAK1 CYP1A2 2009/4885CYP2D6 2330/4885NPC1 4165/4885

“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.