SCHEMBL8360852

SCHEMBL8360852

CNCCCN1CCc2cc(CO)c(CO)cc2CC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 2/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 2/20 0.40
CHRM2 P08172 2/20 0.40
SLC6A4 P31645 2/20 0.40
DRD3 P35462 2/20 0.40
KCNH2 Q12809 2/20 0.40
ALOX15 P16050 1/20 0.40
HTR1A P08908 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 6/20 0.36
NPC1 O15118 2/20 0.36
KMT2A Q03164 2/20 0.34
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
SLC22A3 O75751 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL15180368 0.85 HCN4 (0.42) HCN4MAPTCYP3A4CHRM2SLC6A4
SCHEMBL12462421 0.82 SMN1; SMN2 (0.40) HCN4MAPTCYP3A4CHRM2SLC6A4
SCHEMBL333182 0.82 HCN4 (0.58) HCN4MAPTCYP3A4CHRM2SLC6A4
Hydrochloric Acid SCHEMBL10597759 0.81 CYP3A4 (0.59) HCN4MAPTCYP3A4CHRM2SLC6A4
SCHEMBL15044202 0.81 HCN4 (0.39) HCN4MAPTCYP3A4CHRM2SLC6A4
SCHEMBL15044211 0.78 HCN4 (0.39) HCN4MAPTCYP3A4CHRM2SLC6A4
SCHEMBL8270902 0.77 HCN4 (0.35) HCN4MAPTCYP3A4CHRM2SLC6A4
SCHEMBL8373923 0.77 KMT2A (0.36) HCN4MAPTCYP3A4CHRM2SLC6A4
SCHEMBL8370922 0.75 HCN4 (0.61) HCN4MAPTCYP3A4CHRM2SLC6A4
SCHEMBL8372895 0.75 HCN4 (0.61) HCN4MAPTCYP3A4CHRM2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119794-B2 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2012-02-21 US disclosed
EP-2241553-B1 Process for the synthesis of ivabradine and its pharmaceutically acceptable acid addition salts SERVIER LAB (FR) 2011-07-20 EP disclosed
EP-2241553-A1 Process for the synthesis of ivabradine and its pharmaceutically acceptable acid addition salts Les Laboratoires Servier (FR) 2010-10-20 EP disclosed
WO-2010112705-A1 NOVEL METHOD FOR THE SYNTHESIS OF IVABRADINE AND THE ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2010-10-07 WO disclosed
US-20100249398-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2010-09-30 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 (1 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-20100249398-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid CYP4F2, CYP2F1, CYP2D6 HCN4 37/4885MAPT 4588/4885CYP3A4 15/4885

“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.