Sugi Predict

Sugi Predict / Compounds / SCHEMBL4338829

SCHEMBL4338829

SCHEMBL4338829

COc1ccccc1OC[C@H](O)CN1CCC(N)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN5A Q14524 2/20 0.61
▸ SCN1A P35498 1/20 0.61
▸ SCN9A Q15858 1/20 0.61
▸ LMNA P02545 10/20 0.59
▸ NPY1R P25929 1/20 0.59
▸ NPY2R P49146 1/20 0.59
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ CYP3A4 P08684 2/20 0.57
▸ CYP2D6 P10635 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ ADRB1 P08588 2/20 0.57
▸ ADRA2A P08913 2/20 0.57
▸ ADRA2B P18089 2/20 0.57
▸ ADRA2C P18825 2/20 0.57
▸ ADRA1A P35348 2/20 0.57
▸ DRD3 P35462 2/20 0.57
▸ HTR2B P41595 2/20 0.57
▸ KCNH2 Q12809 2/20 0.57

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
SCHEMBL5354292 1.00 SCN5A (0.61) SCN5ASCN1ASCN9ALMNANPY1R
SCHEMBL2332160 0.88 LMNA (0.73) SCN5ASCN1ASCN9ALMNAMEN1
SCHEMBL16938190 0.84 ABCB1 (0.68) LMNAMEN1KMT2ASMN1; SMN2CYP2D6
SCHEMBL23057178 0.83 LMNA (0.66) SCN5ASCN1ASCN9ALMNAMEN1
SCHEMBL31510205 0.83 LMNA (0.66) SCN5ASCN1ASCN9ALMNAMEN1
SCHEMBL1922663 0.82 POLB (0.70) SCN5ASCN1ASCN9ALMNAMEN1
SCHEMBL7282988 0.82 POLB (0.70) SCN5ASCN1ASCN9ALMNAMEN1
SCHEMBL15296749 0.82 ADRB2 (0.73) LMNAMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL5996256 0.82 POLB (0.70) SCN5ASCN1ASCN9ALMNAMEN1
SCHEMBL20854546 0.81 DRD4 (0.73) MEN1KMT2ACYP2D6TSHRDRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2009-02-26 — — US disclosed
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2009-02-26 — — US disclosed
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2009-02-26 — — US disclosed
US-7452889-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-11-18 — — US disclosed
US-7452889-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-11-18 — — US disclosed
US-7452889-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-11-18 — — US disclosed
US-20080032993-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2008-02-07 — — US disclosed
US-20080032993-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2008-02-07 — — US disclosed
US-20080032993-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2008-02-07 — — US disclosed
US-7262198-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2007-08-28 — — US disclosed
US-20070191390-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ZABLOCKI JEFF 2007-08-16 — — US disclosed
US-7208496-B2 Treatment of cardiovascular diseases and diabetes; {4-[(2R)-2-hydroxy-3-(2-methylbenzothiazol-5-yloxy)propyl]piperazinyl}-N-[4-(trifluoromethyl)phenyl]thiocarboxamide for example; fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-04-24 — — US disclosed
US-7208496-B2 Treatment of cardiovascular diseases and diabetes; {4-[(2R)-2-hydroxy-3-(2-methylbenzothiazol-5-yloxy)propyl]piperazinyl}-N-[4-(trifluoromethyl)phenyl]thiocarboxamide for example; fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-04-24 — — US disclosed
EP-1723129-A1 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2006-11-22 — — EP disclosed
US-20060229317-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2006-10-12 — — US disclosed
US-7115610-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-03 — — US disclosed
US-20050197346-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2005-09-08 — — US disclosed
WO-2005061470-A1 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2005-07-07 — — WO disclosed
WO-2005061470-A1 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2005-07-07 — — WO disclosed
WO-2005000826-A1 UREA DERIVATIVES OF PIPERAZINES AND PIPERIDINES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2005-01-06 — — 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-20060229317-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A SCN5A 5/4885SCN1A 183/4885SCN9A 227/4885
US-20070191390-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A SCN5A 23/4885SCN1A 390/4885SCN9A 330/4885
US-20080032993-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A SCN5A 5/4885SCN1A 183/4885SCN9A 227/4885
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A SCN5A 5/4885SCN1A 183/4885SCN9A 227/4885
US-20050197346-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A SCN5A 5/4885SCN1A 183/4885SCN9A 227/4885

“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.