SCHEMBL4760140

SCHEMBL4760140

C=Cn1cc(CNc2ccc(C(C)C)nc2)cn1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
P4HTM Q9NXG6 1/20 0.30
CDK2 P24941 1/20 0.30
ALDH1A1 P00352 2/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4760334 0.80 JAK3 (0.39) POLBKDM4EGAAALDH1A1JAK1
SCHEMBL27696590 0.77 P4HTM (0.40) NPC1RAB9APOLBKDM4EMEN1
SCHEMBL13341001 0.74 HTT (0.50) MEN1KMT2AP4HTMALDH1A1HPGD
SCHEMBL4759408 0.73 MCHR1 (0.38) NPC1RAB9AP4HTMALDH1A1MAPT
SCHEMBL4758882 0.71 JAK2 (0.41) NPC1RAB9AP4HTMALDH1A1JAK1
SCHEMBL1845562 0.69 MAPT (0.48) NPC1RAB9APOLBKDM4EMEN1
SCHEMBL1845515 0.67 NPC1 (0.51) NPC1RAB9APOLBKDM4EMEN1
SCHEMBL12695029 0.66 RRM2 (0.46) KDM4EALDH1A1MAPT
SCHEMBL20037649 0.65 MAPT (0.35) GAAMAPT
SCHEMBL14283236 0.63 RRM2 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194640-A1 Optically Active Tetrahydronaphthalene Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-14 US claimed
CN-101119986-A Optically active tetrahydronaphthalene derivative MITSUBISHI PHARMA CORP (JP) 2008-02-06 CN claimed
EP-1852431-A1 OPTICALLY ACTIVE TETRAHYDRONAPHTHALENE DERIVATIVE MITSUBISHI PHARMA CORPORATION (JP) 2007-11-07 EP claimed
CN-101119986-B Optically active tetrahydronaphthalene derivative MITSUBISHI PHARMA CORP 2011-07-06 CN disclosed
US-20080194640-A1 Optically Active Tetrahydronaphthalene Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-14 US disclosed
US-20080194640-A1 Optically Active Tetrahydronaphthalene Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-14 US disclosed
CN-101119986-A Optically active tetrahydronaphthalene derivative MITSUBISHI PHARMA CORP (JP) 2008-02-06 CN disclosed
EP-1852431-A1 OPTICALLY ACTIVE TETRAHYDRONAPHTHALENE DERIVATIVE MITSUBISHI PHARMA CORPORATION (JP) 2007-11-07 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-20080194640-A1 Optically Active Tetrahydronaphthalene Derivative C3AR1, C5AR1, C5AR2 NPC1 1787/4885RAB9A 1564/4885POLB 4266/4885

“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.