SCHEMBL1720201

SCHEMBL1720201

O=C(c1ccccc1)N1CCC(c2c[nH]c(=O)c3cc(Cl)ccc23)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.48
EIF4A3 P38919 4/20 0.46
HSD11B1 P28845 8/20 0.45
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MGLL Q99685 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
CHRM1 P11229 2/20 0.42

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
SCHEMBL1719738 0.94 AVPR1A (0.53) AVPR1AL3MBTL3L3MBTL1MGLLMEN1
SCHEMBL1720019 0.88 HSD11B1 (0.52) EIF4A3HSD11B1L3MBTL3L3MBTL1MEN1
SCHEMBL1719708 0.88 HSD11B1 (0.59) HSD11B1L3MBTL3L3MBTL1MEN1KMT2A
SCHEMBL10229075 0.88 HSD11B1 (0.45) HSD11B1L3MBTL3L3MBTL1MEN1KMT2A
SCHEMBL1720512 0.81 MEN1 (0.53) HSD11B1L3MBTL3L3MBTL1MEN1KMT2A
SCHEMBL1720773 0.81 HSD11B1 (0.51) HSD11B1L3MBTL3L3MBTL1MEN1KMT2A
SCHEMBL1720117 0.78 RBP4 (0.54) HSD11B1MGLLMEN1KMT2A
SCHEMBL1720355 0.78 KDM4E (0.52) OPRM1OPRK1OPRL1ATM
SCHEMBL1719865 0.76 OPRM1 (0.47) AVPR1AOPRM1OPRK1OPRL1
SCHEMBL1720933 0.76 OPRM1 (0.48) MEN1KMT2AOPRM1OPRK1OPRL1

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
EP-1566380-B1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-01-11 EP disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US disclosed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 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-20060094743-A1 Isoquinoline compounds and medicinal use thereof PARP1, NQO1, PARP3 AVPR1A 646/4885EIF4A3 3470/4885HSD11B1 2026/4885

“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.