SCHEMBL1720117

SCHEMBL1720117

O=C(c1ccccc1)N1CCC(c2c[nH]c(=O)c3cc(C(F)(F)F)ccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.54
SLC9A1 P19634 3/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD11B1 P28845 3/20 0.46
CCR2 P41597 2/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MGLL Q99685 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 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
SCHEMBL1720773 0.86 HSD11B1 (0.51) RBP4SLC9A1CYP2C9CYP2C19HSD11B1
SCHEMBL1720512 0.85 MEN1 (0.53) HSD11B1NOS3NOS1MEN1KMT2A
SCHEMBL1719738 0.84 AVPR1A (0.53) RBP4NOS3NOS1MEN1KMT2A
SCHEMBL1719708 0.80 HSD11B1 (0.59) HSD11B1MEN1KMT2ATDP1
SCHEMBL1720798 0.80 APP (0.47) CYP2C9
SCHEMBL10229075 0.78 HSD11B1 (0.45) HSD11B1NOS3NOS1MEN1KMT2A
SCHEMBL1720201 0.78 AVPR1A (0.48) HSD11B1MEN1KMT2AMGLL
SCHEMBL1720019 0.78 HSD11B1 (0.52) HSD11B1MEN1KMT2A
SCHEMBL18324707 0.76 KDM4E (0.61) RBP4HSD11B1CCR2KMT2A
Hydrochloric Acid SCHEMBL1719590 0.76 HTR2C (0.48) MEN1KMT2A

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
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-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 RBP4 3455/4885SLC9A1 2042/4885CYP2C9 2747/4885

“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.