SCHEMBL4661893

SCHEMBL4661893

Cc1ncccc1Oc1cc(C(F)(F)F)ccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 2/20 0.48
▸ SCN10A Q9Y5Y9 2/20 0.48
▸ SLC22A12 Q96S37 1/20 0.47
▸ CYP2D6 P10635 2/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ NOS2 P35228 2/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ HTR2C P28335 2/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ AR P10275 3/20 0.41
▸ SCN9A Q15858 7/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL18570624 0.77 SCN8A (0.50) SCN8ASCN10AHTR2AHTR2CHTR2B
SCHEMBL24154948 0.77 TAS2R14 (0.56) SLC22A12CYP2D6SLC6A2SLC6A4NOS2
SCHEMBL30319921 0.77 TAS2R14 (0.56) SLC22A12CYP2D6SLC6A2SLC6A4NOS2
SCHEMBL2657080 0.76 CYP1A2 (0.46) SCN8ASCN10ASLC22A12HTR2AHTR2C
SCHEMBL25373566 0.76 AR (0.46) SCN8ASCN10ASLC22A12CYP2D6SLC6A2
SCHEMBL4661838 0.76 SCN8A (0.62) SCN8ASCN10AHTR2AHTR2CHTR2B
SCHEMBL3294014 0.73 SLC22A12 (0.45) SLC22A12
SCHEMBL5656320 0.73 AR (0.50) CYP2D6SLC6A2SLC6A4NOS2AR
SCHEMBL3578065 0.72 AR (0.52) CYP2D6SLC6A2SLC6A4NOS2AR
SCHEMBL6545410 0.72 ADORA2A (0.50) SLC22A12NOS2CYP2C9CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841483-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 — — US disclosed
US-8841483-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 — — US disclosed
US-8841483-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 — — US disclosed
EP-2004596-A2 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2008-12-24 — — EP disclosed
WO-2007120647-A2 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 — — WO disclosed
US-20070238733-A1 Drugs for various disorders such as sodium channel modulators, cardiovascular disorders, antiarrhythmia agents ar nervous system disorders VERTEX PHARMACEUTICALS INCORPORATED 2007-10-11 — — US disclosed
US-20070238733-A1 Drugs for various disorders such as sodium channel modulators, cardiovascular disorders, antiarrhythmia agents ar nervous system disorders VERTEX PHARMACEUTICALS INCORPORATED 2007-10-11 — — US disclosed
US-20070238733-A1 Drugs for various disorders such as sodium channel modulators, cardiovascular disorders, antiarrhythmia agents ar nervous system disorders VERTEX PHARMACEUTICALS INCORPORATED 2007-10-11 — — 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-20070238733-A1 Drugs for various disorders such as sodium channel modulators, cardiovascular disorders, antiarrhythmia agents ar nervous system disorders KCNH1, SCN5A, CACNA1A SCN8A 70/4885SCN10A 47/4885SLC22A12 852/4885

“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.

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