SCHEMBL4760334

SCHEMBL4760334

CCn1cc(CNc2ccc(C(C)C)nc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 2/20 0.37
ACHE P22303 1/20 0.37
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
LMNA P02545 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL854697 0.82 JAK3 (0.47) JAK3ALDH1A1GAAKDM4EMAPT
SCHEMBL27696590 0.81 P4HTM (0.40) JAK3GAAKDM4EMAPTLMNA
SCHEMBL4760140 0.80 NPC1 (0.34) JAK3ALDH1A1GAAKDM4EMAPT
SCHEMBL13341001 0.76 HTT (0.50) ALDH1A1
SCHEMBL4758869 0.73 LMNA (0.61) ALDH1A1KDM4EMAPTLMNAPOLB
SCHEMBL4758882 0.73 JAK2 (0.41) ALDH1A1MAPTACHEJAK2JAK1
SCHEMBL1845562 0.71 MAPT (0.48) ALDH1A1GAAKDM4EMAPTLMNA
SCHEMBL12695029 0.70 RRM2 (0.46) ALDH1A1KDM4EMAPTLMNA
SCHEMBL3639381 0.69 GAA (0.46) ALDH1A1GAAKDM4EMAPTLMNA
SCHEMBL1845515 0.69 NPC1 (0.51) ALDH1A1GAAKDM4EMAPTLMNA

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-20080194640-A1 Optically Active Tetrahydronaphthalene Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-14 US claimed
EP-1852431-A1 OPTICALLY ACTIVE TETRAHYDRONAPHTHALENE DERIVATIVE MITSUBISHI PHARMA CORPORATION (JP) 2007-11-07 EP claimed
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
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 JAK3 3795/4885ALDH1A1 1551/4885GAA 4733/4885

“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.