SCHEMBL19084060

SCHEMBL19084060

CC(C)C(C)c1ccc(Cl)cc1-c1ccnn1C1CNC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.41
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
SLC6A4 P31645 1/20 0.33
SCN2B O60939 1/20 0.33
SCN1B Q07699 1/20 0.33
SCN5A Q14524 1/20 0.33

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
SCHEMBL17428427 0.81 SCN9A (0.42) SCN9A
SCHEMBL19075585 0.78 SCN9A (0.43) SCN9ACYP3A4CYP2C9SCN2BSCN1B
SCHEMBL27849367 0.71 SCN9A (0.47) SCN9ACYP3A4CYP2C9SCN2BSCN1B
Tert-Butyl Formate SCHEMBL27849369 0.70 SCN9A (0.41) SCN9ACYP3A4CYP2C9SCN2BSCN1B
SCHEMBL21075813 0.70 DRD2 (0.42)
SCHEMBL1745322 0.66 SCN9A (0.51) SCN9ACYP3A4CYP2C9
SCHEMBL16900306 0.66 ALDH1A1 (0.54) SCN9A
SCHEMBL17485945 0.64 CCNT1 (0.40)
SCHEMBL1094621 0.62 SCN9A (0.45) SCN9A
SCHEMBL16130007 0.62 ALDH1A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 SCN9A 2337/4885CYP3A4 594/4885CYP2C9 692/4885

“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.