SCHEMBL3606350

SCHEMBL3606350

C=Cc1c(C2CC2)nn(C)c1Oc1cc(O)c(Cl)cc1Cl

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN2B O60939 1/20 0.30
SCN1A P35498 1/20 0.30
SCN1B Q07699 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 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
SCHEMBL3609157 0.89 SMN1; SMN2 (0.37) SCN2BSCN1ASCN1BSCN5ASCN9A
SCHEMBL3612642 0.83 PDE10A (0.31) SCN2BSCN1ASCN1BSCN5ASCN9A
SCHEMBL3613586 0.83
SCHEMBL3607161 0.82 SMN1; SMN2 (0.40)
SCHEMBL3613668 0.81 PTGDR2 (0.36) SCN2BSCN1ASCN1BSCN5ASCN9A
SCHEMBL3609174 0.80 FPR2 (0.31)
SCHEMBL3613082 0.79
SCHEMBL3611386 0.78 CYP1A2 (0.34)
SCHEMBL3610894 0.78 RAB9A (0.30)
SCHEMBL3605600 0.78

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-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 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 (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-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R SCN2B 1240/4885SCN1A 738/4885SCN1B 423/4885

“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.