SCHEMBL6945076

SCHEMBL6945076

c1cn(-c2ccc(Oc3cc(N4CCOCC4)nc(Cc4ccc5c(c4)OCO5)n3)cc2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 17/20 1.00
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6942859 0.84 NOS2 (0.73) NOS2
SCHEMBL6940389 0.76 NOS2 (0.61) NOS2
SCHEMBL6946779 0.75 NOS2 (0.61) NOS2
SCHEMBL7067249 0.74 NOS2 (0.57) NOS2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6939922 0.74 NOS2 (0.59) NOS2
SCHEMBL6944316 0.73 NOS2 (0.58) NOS2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6942321 0.73 NOS2 (0.58) NOS2
SCHEMBL6939218 0.73 NOS2 (0.57) NOS2
SCHEMBL6940290 0.73 NOS2 (0.57) NOS2
SCHEMBL6945996 0.72 NOS2 (0.57) NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268471-B1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AG (DE) 2003-10-15 EP claimed
US-6525051-B2 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2003-02-25 US claimed
EP-1268471-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-02 EP claimed
US-20020010190-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2002-01-24 US claimed
WO-2001072744-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2001-10-04 WO claimed
EP-1268471-B1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AG (DE) 2003-10-15 EP disclosed
US-6525051-B2 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2003-02-25 US disclosed
EP-1268471-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-02 EP disclosed
US-20020010190-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2002-01-24 US disclosed
WO-2001072744-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2001-10-04 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-20020010190-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS3, NOS2 NOS2 3/4885CYP1A2 34/4885CYP3A4 46/4885

“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.