Sugi Predict

Sugi Predict / Compounds / SCHEMBL310318

SCHEMBL310318

SCHEMBL310318

O=C1NCC[C@]12CC[C@H](c1ccc(OCc3ccccc3F)cc1)N2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 8/20 0.52
▸ SCN3A Q9NY46 7/20 0.52
▸ SCN1A P35498 1/20 0.52
▸ SCN4A P35499 1/20 0.52
▸ SCN7A Q01118 1/20 0.52
▸ SCN5A Q14524 1/20 0.52
▸ SCN9A Q15858 1/20 0.52
▸ SCN2A Q99250 1/20 0.52
▸ SCN8A Q9UQD0 1/20 0.52
▸ SCN10A Q9Y5Y9 1/20 0.52
▸ MAOB P27338 8/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2B6 P20813 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KDM1A O60341 2/20 0.46
▸ MAOA P21397 2/20 0.46
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ PARP15 Q460N3 2/20 0.41
▸ PARP10 Q53GL7 2/20 0.41

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
SCHEMBL13133885 1.00 KCNH2 (0.52) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL483583 1.00 KCNH2 (0.52) KCNH2SCN3ASCN1ASCN4ASCN7A
Hydrochloric Acid SCHEMBL483201 0.99 KCNH2 (0.53) KCNH2SCN3ASCN1ASCN4ASCN7A
Hydrochloric Acid SCHEMBL484728 0.99 KCNH2 (0.53) KCNH2SCN3ASCN1ASCN4ASCN7A
Hydrochloric Acid SCHEMBL484727 0.99 KCNH2 (0.53) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL483593 0.94 KCNH2 (0.50) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL483564 0.94 KCNH2 (0.50) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL483435 0.94 KCNH2 (0.50) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL483399 0.94 KCNH2 (0.50) KCNH2SCN3ASCN1ASCN4ASCN7A
Hydrochloric Acid SCHEMBL483192 0.93 KCNH2 (0.51) KCNH2SCN3ASCN1ASCN4ASCN7A

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 — — US claimed
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 — — EP claimed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 — — US claimed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 — — US claimed
EP-1934176-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2008-06-25 — — EP claimed
WO-2007042240-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2007-04-19 — — WO claimed
US-9006271-B2 5-[5-[2-(3,5-bis(trifluoromethyl)phenyl)-2-methylpropanomethylpropanoylmethylamino]-4-(4-fluoro-2-methylphenyl)]-2-pyridinyl-2-alkyl-prolinamide as NK1 receptor antagonists NERRE THERAPEUTICS LIMITED (GB) 2015-04-14 — — US disclosed
US-20140249188-A1 5-[5-[2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-METHYLPROPANOMETHYLPROPANOYLMETHYLAMINO]-4-(4-FLUORO-2-METHYLPHENYL)]-2-PYRIDINYL-2-ALKYL-PROLINAMIDE AS NK1 RECEPTOR ANTAGONISTS NERRE THERAPEUTICS LIMITED (GB) 2014-09-04 — — US disclosed
US-8822504-B2 5-[5-[2-(3,5-bis(trifluoromethyl)phenyl)-2-methylpropanomethylpropanoylmethylamino]-4-(4-fluoro-2-methylphenyl)]-2-pyridinyl-2-alkyl-prolinamide as NK1 receptor antagonists NERRE THERAPEUTICS LIMITED (GB) 2014-09-02 — — US disclosed
US-8633214-B2 Spiro (piperidine-4,2′-pyrrolidine)-1-(3,5-trifluoromethylphenyl) methylcarboxamides as NK1 tachikynin receptor antagonists NERRE THERAPEUTICS LIMITED (GB) 2014-01-21 — — US disclosed
EP-2300452-B1 5-[5-[2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-METHYLPROPANOYLMETHYLAMINO]-4-(4-FLUORO-2-METHYLPHENYL)]-2-PYRIDINYL-2-ALKYL-PROLINAMIDE AS NK1 RECEPTOR ANTAGONISTS NERRE THERAPEUTICS LTD (GB) 2013-11-20 — — EP disclosed
US-20130143931-A1 5-[5-[2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-METHYLPROPANOMETHYLPROPANOYLMETHYLAMINO]-4-(4-FLUORO-2-METHYLPHENYL)]-2-PYRIDINYL-2-ALKYL-PROLINAMIDE AS NK1 RECEPTOR ANTAGONISTS GLAXO WELLCOME MANUFACTURING PTE LTD. (SG) 2013-06-06 — — US disclosed
US-20130123250-A1 SPIRO (PIPERIDINE-4,2'-PYRROLIDINE)-1-(3,5-TRIFLUOROMETHYLPHENYL) METHYLCARBOXAMIDES AS NK1 TACHIKYNIN RECEPTOR ANTAGONISTS GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2013-05-16 — — US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 — — US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 — — US disclosed
WO-2008090117-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3, 5-DIAMIN0-6- (2, 3-DICHL0PHENYL) -L, 2, 4-TRIAZINE OR R (-) -2, 4-DIAMINO-5- (2, 3-DICHLOROPHENYL) -6-FLUOROMETHYL PYRIMIDINE AND AN NK1 GLAXO GROUP LIMITED (GB) 2008-07-31 — — WO disclosed
WO-2008090114-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5- (5-TRIFLUOROMETHYL-TETRAZOL-I-YL-BENZYL) - (2S-PHENYL-PIPERIDIN-3S-YL-) GLAXO GROUP LIMITED (GB) 2008-07-31 — — WO disclosed
EP-1934176-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2008-06-25 — — EP disclosed
WO-2007042240-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2007-04-19 — — WO disclosed
WO-2007042240-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2007-04-19 — — WO 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 (5 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-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 KCNH2 3260/4885SCN3A 2696/4885SCN1A 1086/4885
US-20130143931-A1 5-[5-[2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-METHYLPROPANOMETHYLPROPANOYLMETHYLAMINO]-4-(4-FLUORO-2-METHYLPHENYL)]-2-PYRIDINYL-2-ALKYL-PROLINAMIDE AS NK1 RECEPTOR ANTAGONISTS TACR1, BDKRB2, TACR2 KCNH2 41/4885SCN3A 406/4885SCN1A 427/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B KCNH2 15/4885SCN3A 11/4885SCN1A 5/4885
US-20130123250-A1 SPIRO (PIPERIDINE-4,2'-PYRROLIDINE)-1-(3,5-TRIFLUOROMETHYLPHENYL) METHYLCARBOXAMIDES AS NK1 TACHIKYNIN RECEPTOR ANTAGONISTS TACR2, TACR1, TAC3 KCNH2 48/4885SCN3A 299/4885SCN1A 329/4885
US-20140249188-A1 5-[5-[2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-METHYLPROPANOMETHYLPROPANOYLMETHYLAMINO]-4-(4-FLUORO-2-METHYLPHENYL)]-2-PYRIDINYL-2-ALKYL-PROLINAMIDE AS NK1 RECEPTOR ANTAGONISTS TACR1, BDKRB2, TACR2 KCNH2 41/4885SCN3A 406/4885SCN1A 427/4885

“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.