SCHEMBL1187751

SCHEMBL1187751

COC(=O)C[C@H]1CC[C@H](OC(=O)N2CCc3cc(NC(=O)Nc4ccncc4)ccc3C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.41
SYK P43405 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TMPRSS2 O15393 1/20 0.38
KCNA1 Q09470 1/20 0.38
KCNAB1 Q14722 1/20 0.38
PDE4B Q07343 1/20 0.38
ROCK2 O75116 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1187749 1.00 NAMPT (0.41) NAMPTSYKKDM4ETMPRSS2KCNA1
SCHEMBL1189690 0.91 NAMPT (0.42) NAMPTSYKTMPRSS2ROCK2
SCHEMBL1189686 0.91 NAMPT (0.42) NAMPTSYKTMPRSS2ROCK2
SCHEMBL1188003 0.90 NPC1 (0.49) NAMPTSYKKDM4EROCK2MEN1
SCHEMBL1188004 0.90 NPC1 (0.49) NAMPTSYKKDM4EROCK2MEN1
SCHEMBL1187722 0.89 FPR2 (0.41) NAMPTSYKKDM4ETMPRSS2KCNA1
SCHEMBL1187719 0.89 FPR2 (0.41) NAMPTSYKKDM4ETMPRSS2KCNA1
SCHEMBL1187898 0.89 KDM4E (0.42) NAMPTSYKKDM4EROCK2POLB
SCHEMBL1187897 0.89 KDM4E (0.42) NAMPTSYKKDM4EROCK2POLB
SCHEMBL1188550 0.88 SYK (0.39) NAMPTSYKKDM4ETMPRSS2KCNA1

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
US-8735425-B2 Tetrahydroisoquinoline derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-27 US disclosed
EP-2256105-B1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-12-04 EP disclosed
US-20110034481-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-02-10 US disclosed
EP-2256105-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-01 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-20110034481-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DGAT1, DGAT2, DLAT NAMPT 934/4885SYK 4151/4885KDM4E 2152/4885

“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.