SCHEMBL5450160

SCHEMBL5450160

COc1ccccc1OCC(O)CN1CCC(NOC(=O)Nc2c(C)cccc2C)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 4/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
TSHR P16473 1/20 0.69
NFKB1 P19838 1/20 0.69
ADRB2 P07550 1/20 0.69
ADRB1 P08588 1/20 0.69
ADRA2A P08913 1/20 0.69
ADRA2B P18089 1/20 0.69
ADRA2C P18825 1/20 0.69
ADRA1A P35348 1/20 0.69
DRD3 P35462 1/20 0.69
HTR2B P41595 1/20 0.69
KCNH2 Q12809 1/20 0.69
LMNA P02545 4/20 0.68
BLM P54132 1/20 0.68
PMP22 Q01453 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
NPY1R P25929 1/20 0.53
NPY2R P49146 1/20 0.53

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
SCHEMBL5353202 0.88 SCN5A (0.73) SCN5ACYP3A4CYP2D6TSHRNFKB1
SCHEMBL5347764 0.88 SCN5A (0.73) SCN5ACYP3A4CYP2D6TSHRNFKB1
SCHEMBL7281689 0.82 TSHR (0.75) SCN5ACYP3A4CYP2D6TSHRNFKB1
Ranolazine SCHEMBL30296819 0.82 CYP3A4 (1.00) SCN5ACYP3A4CYP2D6TSHRNFKB1
Ranolazine SCHEMBL124665 0.82 CYP3A4 (1.00) SCN5ACYP3A4CYP2D6TSHRNFKB1
Ranolazine SCHEMBL124666 0.82 CYP3A4 (1.00) SCN5ACYP3A4CYP2D6TSHRNFKB1
Ranolazine SCHEMBL1495098 0.82 CYP3A4 (1.00) SCN5ACYP3A4CYP2D6TSHRNFKB1
Ranolazine SCHEMBL7933344 0.82 CYP3A4 (1.00) SCN5ACYP3A4CYP2D6TSHRNFKB1
Ranolazine SCHEMBL1534086 0.82 CYP3A4 (1.00) SCN5ACYP3A4CYP2D6TSHRNFKB1
Ranolazine SCHEMBL6391141 0.82 CYP3A4 (1.00) SCN5ACYP3A4CYP2D6TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191390-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ZABLOCKI JEFF 2007-08-16 US claimed
EP-1644345-A1 UREA DERIVATIVES OF PIPERAZINES AND PIPERIDINES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2006-04-12 EP claimed
US-20050049254-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2005-03-03 US claimed
WO-2005000826-A1 UREA DERIVATIVES OF PIPERAZINES AND PIPERIDINES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2005-01-06 WO claimed

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-20050049254-A1 Substituted heterocyclic compounds KCNH1, KCNJ2, SCN5A SCN5A 3/4885CYP3A4 1273/4885CYP2D6 563/4885
US-20070191390-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A SCN5A 23/4885CYP3A4 598/4885CYP2D6 238/4885

“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.