SCHEMBL17437608

SCHEMBL17437608

O=C(NC[C@H]1CCCN1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.54
▸ MAPT P10636 1/20 0.47
▸ IDO1 P14902 3/20 0.45
▸ TDO2 P48775 3/20 0.45
▸ OPRK1 P41145 2/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ LMNA P02545 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CACNA1F O60840 1/20 0.43
▸ KCNA5 P22460 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ CACNA1D Q01668 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43

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
SCHEMBL17437611 1.00 SCN9A (0.54) SCN9AMAPTIDO1TDO2OPRK1
SCHEMBL28326753 0.85 SCN9A (0.49) SCN9AMAPTIDO1TDO2OPRK1
SCHEMBL17470220 0.85 SCN9A (0.49) SCN9AMAPTIDO1TDO2OPRK1
SCHEMBL15844424 0.82 SCN9A (0.69) SCN9AIDO1TDO2OPRK1LMNA
SCHEMBL15844258 0.82 SCN9A (0.69) SCN9AIDO1TDO2OPRK1LMNA
SCHEMBL15844259 0.82 SCN9A (0.69) SCN9AIDO1TDO2OPRK1LMNA
SCHEMBL14433885 0.80 MAPT (0.55) MAPTLMNAKCNH2MTOR
SCHEMBL1444765 0.80 MAPT (0.49) MAPTLMNAKCNH2MTOR
SCHEMBL17466662 0.78 HPGD (0.46) SCN9AMAPTIDO1TDO2LMNA
SCHEMBL8290068 0.78 OPRM1 (0.65) OPRK1OPRM1OPRD1TSHRSMN1; SMN2

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-10208023-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2019-02-19 — — US disclosed
US-10208023-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2019-02-19 — — US disclosed
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL EPIRUS BIOPHARMACEUTICALS, INC. (US) 2017-04-20 — — US disclosed
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL EPIRUS BIOPHARMACEUTICALS, INC. (US) 2017-04-20 — — US disclosed
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL EPIRUS BIOPHARMACEUTICALS, INC. (US) 2017-04-20 — — US disclosed
US-20160016939-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL NATIONAL CENTER FOR ADDICTION STUDIES AND TREATMENT FOUNDATION 2016-01-21 — — US disclosed
US-20160016939-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL NATIONAL CENTER FOR ADDICTION STUDIES AND TREATMENT FOUNDATION 2016-01-21 — — US disclosed
US-20160016939-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL NATIONAL CENTER FOR ADDICTION STUDIES AND TREATMENT FOUNDATION 2016-01-21 — — 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 (3 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-10208023-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPV1, SCN1A SCN9A 29/4885MAPT 728/4885IDO1 751/4885
US-20160016939-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, TRPV1, SCN1A SCN9A 29/4885MAPT 728/4885IDO1 751/4885
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S SCN9A 28/4885MAPT 1257/4885IDO1 1143/4885

“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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