SCHEMBL7519699

SCHEMBL7519699

CC(NC(=O)CNC1CCCCC1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
MMP2 P08253 2/20 0.51
CA9 Q16790 2/20 0.51
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 2/20 0.44
EPHX1 P07099 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DPP7 Q9UHL4 1/20 0.41
LMNA P02545 1/20 0.41
EPHX2 P34913 2/20 0.41
HPGD P15428 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40

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
SCHEMBL27375447 0.84 MMP2 (0.53) CA12CA1CA2MMP2CA9
SCHEMBL18314658 0.80 CA12 (0.56) CA12CA1CA2MMP2CA9
SCHEMBL7746564 0.80 KDM4E (0.43) KMT2AMEN1KDM4EEPHX1DPP7
SCHEMBL18743820 0.80 KDM1A (0.47) KMT2AMEN1KDM4EEPHX1DPP7
SCHEMBL28361937 0.79 CA12 (0.54) CA12CA1CA2MMP2CA9
SCHEMBL5103623 0.77 LMNA (0.63) KMT2AKDM4EEPHX1NPSR1LMNA
SCHEMBL8552632 0.76 KMT2A (0.50) KMT2AMEN1KDM4EEPHX1NPSR1
SCHEMBL25479775 0.74 KDM4E (0.45) KMT2AMEN1KDM4EEPHX1DPP7
SCHEMBL14279031 0.74 KDM1A (0.43) KMT2AMEN1KDM4EEPHX1DPP7
SCHEMBL13036187 0.74 CA12 (0.61) CA12CA1CA2MMP2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-04-04 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-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors CTRL, HPN, CTSL CA12 2861/4885CA1 435/4885CA2 1055/4885

“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.