Sugi Predict

Sugi Predict / Compounds / SCHEMBL17816494

SCHEMBL17816494

SCHEMBL17816494

CCOc1ccc(OCC)c(C(=O)NC[C@H]2CCCCN2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.73
▸ CYP2D6 P10635 2/20 0.73
▸ LMNA P02545 2/20 0.73
▸ CYP3A4 P08684 1/20 0.73
▸ CYP2C9 P11712 1/20 0.73
▸ TSHR P16473 1/20 0.73
▸ CYP2C19 P33261 1/20 0.73
▸ CACNA1F O60840 1/20 0.73
▸ KCNA5 P22460 1/20 0.73
▸ SLC6A2 P23975 1/20 0.73
▸ ADRA1A P35348 1/20 0.73
▸ OPRK1 P41145 1/20 0.73
▸ CACNA1D Q01668 1/20 0.73
▸ KCNH2 Q12809 1/20 0.73
▸ CACNA1S Q13698 1/20 0.73
▸ CACNA1C Q13936 1/20 0.73
▸ SCN5A Q14524 1/20 0.73
▸ SMN1; SMN2 Q16637 2/20 0.71
▸ PMP22 Q01453 1/20 0.71
▸ NPSR1 Q6W5P4 1/20 0.71

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
SCHEMBL20921172 0.91 CYP1A2 (0.89) CYP1A2CYP2D6LMNACYP3A4CYP2C9
SCHEMBL19822359 0.91 CYP1A2 (0.89) CYP1A2CYP2D6LMNACYP3A4CYP2C9
Acetic Acid SCHEMBL10469403 0.89 SMN1; SMN2 (0.91) CYP1A2CYP2D6LMNACYP3A4CYP2C9
Acetic Acid SCHEMBL10468143 0.89 SMN1; SMN2 (0.91) CYP1A2CYP2D6LMNACYP3A4CYP2C9
Flecainide SCHEMBL14970 0.84 CYP1A2 (1.00) CYP1A2CYP2D6LMNACYP3A4CYP2C9
Flecainide SCHEMBL29385957 0.84 CYP1A2 (1.00) CYP1A2CYP2D6LMNACYP3A4CYP2C9
(R)-Flecainide SCHEMBL14971 0.84 CYP1A2 (1.00) CYP1A2CYP2D6LMNACYP3A4CYP2C9
Flecainide SCHEMBL17799127 0.84 CYP1A2 (1.00) CYP1A2CYP2D6LMNACYP3A4CYP2C9
Flecainide SCHEMBL5569654 0.83 CYP1A2 (0.98) CYP1A2CYP2D6LMNACYP3A4CYP2C9
Flecainide SCHEMBL5569649 0.83 CYP1A2 (0.98) CYP1A2CYP2D6LMNACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180028519-A1 Use of Flecainide as an Anti-Connexin Agent and Method for Potentiating the Effects of a Psychotropic Drug COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-02-01 — — US disclosed
US-9750734-B2 Use of flecainide as an anti-connexin agent and method for potentiating the effects of a psychotropic drug COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-09-05 — — US disclosed
US-20160158213-A1 USE OF FLECAINIDE AS AN ANTI-CONNEXIN AGENT AND METHOD FOR POTENTIATING THE EFFECTS OF A PSYCHOTROPIC DRUG COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2016-06-09 — — 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 (2 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-20180028519-A1 Use of Flecainide as an Anti-Connexin Agent and Method for Potentiating the Effects of a Psychotropic Drug GJA1, GJB2, GAP43 CYP1A2 516/4885CYP2D6 195/4885LMNA 1294/4885
US-20160158213-A1 USE OF FLECAINIDE AS AN ANTI-CONNEXIN AGENT AND METHOD FOR POTENTIATING THE EFFECTS OF A PSYCHOTROPIC DRUG GJA1, GJB2, GAP43 CYP1A2 516/4885CYP2D6 195/4885LMNA 1294/4885

“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.