SCHEMBL2879093

SCHEMBL2879093

CC(C)(C)NCc1cc[c]cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.37
CA2 P00918 1/20 0.35
HTT P42858 1/20 0.34
KDM4E B2RXH2 3/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.30
RAB9A P51151 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL5839383 0.83 LTA4H (0.46) LTA4HCA2HTTKDM4ECYP3A4
SCHEMBL2500688 0.79 HTT (0.57) HTTALDH1A1RAB9ACYP2D6
SCHEMBL3440203 0.79 LOXL2 (0.50) LTA4HCA2HTTKDM4ECYP3A4
Water SCHEMBL13583453 0.79 CYP3A4 (0.56) LTA4HHTTKDM4ECYP3A4MAPT
SCHEMBL125129 0.76 CYP3A4 (0.52) LTA4HHTTKDM4ECYP3A4MAPT
SCHEMBL1243518 0.75
SCHEMBL6637900 0.75 LTA4H (0.34) LTA4HCA2KDM4ECYP3A4MAPT
SCHEMBL22887096 0.74 LTA4H (0.41) LTA4HCA2HTTKDM4EALDH1A1
SCHEMBL8040670 0.74 CHRM2 (0.47) LTA4HHTTKDM4EMAPTALDH1A1
Bromide SCHEMBL11038149 0.74 CYP3A4 (0.50) LTA4HHTTKDM4ECYP3A4MAPT

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
EP-2213673-B1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2013-06-05 EP disclosed
US-8329711-B2 Pyridone-substituted-dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2012-12-11 US disclosed
US-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. (JP) 2010-09-02 US disclosed
EP-2213673-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-08-04 EP 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-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE WEE1, WEE2, CCNE1 LTA4H 4258/4885CA2 2098/4885HTT 3943/4885

“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.