SCHEMBL17457429

SCHEMBL17457429

COC1C(=O)NCCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.44
RECQL P46063 1/20 0.44
PRCP P42785 4/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
PDPK1 O15530 1/20 0.43
PARP1 P09874 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP11 Q9NR21 1/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
AGTR1 P30556 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
OPRM1 P35372 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL2275422 0.79 HTR2A (0.50) GID4RECQLPRCPHTR2AHTR2C
SCHEMBL8367481 0.79 HTR2A (0.43) GID4RECQLPRCPHTR2AHTR2C
SCHEMBL8212470 0.78 CHRNA7 (0.49) GID4PRCPHTR2APDPK1
SCHEMBL3976186 0.77 CHRNA7 (0.43) HTR2APDPK1
SCHEMBL4127623 0.76 ANPEP (0.50) RECQLPRCPHTR2AHTR2CHTR2B
SCHEMBL4117416 0.76 ANPEP (0.50) RECQLPRCPHTR2AHTR2CHTR2B
SCHEMBL4108357 0.76 ANPEP (0.50) RECQLPRCPHTR2AHTR2CHTR2B
SCHEMBL7772712 0.75 PRCP (0.42) GID4RECQLPRCPHTR2AHTR2C
SCHEMBL14178994 0.75 PDPK1 (0.45) GID4RECQLPRCPHTR2AHTR2C
SCHEMBL9732856 0.73 GAA (0.67) RECQLPRCPHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382209-B2 Polymorphic forms of ivabradine hydrochloride CADILA HEALTHCARE LIMITED (IN) 2016-07-05 US disclosed
US-20160024015-A1 POLYMORPHIC FORMS OF IVABRADINE HYDROCHLORIDE CADILA HEALTHCARE LIMITED (IN) 2016-01-28 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-20160024015-A1 POLYMORPHIC FORMS OF IVABRADINE HYDROCHLORIDE CYP4F3, CYP4F2, SCN5A GID4 209/4885RECQL 379/4885PRCP 2373/4885

“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.