SCHEMBL10004792

SCHEMBL10004792

O=C(O)C[C@H]1CC[C@H](OC(=O)N2CCc3cc(NC(=O)Nc4cccc(Cl)c4)ccc3C2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
POLB P06746 2/20 0.44
DGAT1 O75907 2/20 0.42
EPHX2 P34913 3/20 0.41
KCNJ6 P48051 1/20 0.41
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL10004790 1.00 NPC1 (0.48) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL10004460 0.93 TMPRSS2 (0.41) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL10004457 0.93 TMPRSS2 (0.41) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL1188342 0.92 DGAT1 (0.50) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL1188339 0.92 DGAT1 (0.50) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL1187906 0.90 SYK (0.40) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL1187908 0.90 SYK (0.40) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL13009363 0.90 SYK (0.40) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL1188081 0.90 NPC1 (0.48) NPC1RAB9ACASP3SENP7DGAT1
SCHEMBL1187108 0.90 NPC1 (0.48) NPC1RAB9ACASP3SENP7POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202847-A1 Novel Tetrahydroisoquinoline Compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-09 US claimed
EP-2471777-A1 NOVEL TETRAHYDROISOQUINOLINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2012-07-04 EP claimed
US-20120202847-A1 Novel Tetrahydroisoquinoline Compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-09 US disclosed
US-20120202847-A1 Novel Tetrahydroisoquinoline Compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-09 US disclosed
EP-2471777-A1 NOVEL TETRAHYDROISOQUINOLINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2012-07-04 EP disclosed
WO-2011024932-A1 NOVEL TETRAHYDROISOQUINOLINE COMPOUNDS 第一三共株式会社 (JP) 2011-03-03 WO 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-20120202847-A1 Novel Tetrahydroisoquinoline Compounds DGAT2, DGAT1, DLAT NPC1 311/4885RAB9A 1014/4885CASP3 2310/4885

“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.