SCHEMBL4772617

SCHEMBL4772617

CCN1CCN(c2nc(-c3ccc(OC(CC(C)(C)C)O[SiH](C)C)cc3)cc3cscc23)CC1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PRMT5 O14744 1/20 0.31
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4772619 0.84 PRMT5 (0.35) CYP2D6CNR1CNR2LMNAMAPT
SCHEMBL4774318 0.80 HRH3 (0.49) CYP2D6CNR1CNR2LMNAMAPT
SCHEMBL4763526 0.78 PRMT5 (0.39) CYP2D6CNR1CNR2LMNAMAPT
SCHEMBL4772647 0.77 SYK (0.40) CYP2D6CNR1CNR2LMNAMAPT
SCHEMBL4764656 0.76 FGFR1 (0.43) CYP2D6CNR1CNR2LMNAMAPT
SCHEMBL4772618 0.76 MEN1 (0.37) CYP2D6CNR1CNR2MAPTPRMT5
Oxalic Acid SCHEMBL4791621 0.75 HRH3 (0.44) LMNAMAPTSMN1; SMN2HRH3KMT2A
Oxalic Acid SCHEMBL4842074 0.73 ALDH1A1 (0.43) CYP2D6CNR1CNR2LMNAMAPT
SCHEMBL7777238 0.68 SMN1; SMN2 (0.42) CYP2D6CNR1CNR2LMNAMAPT
SCHEMBL4767872 0.67 HRH3 (0.49) LMNAMAPTHRH4HRH3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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 (2 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 CYP2D6 3573/4885CNR1 475/4885CNR2 220/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CYP2D6 2558/4885CNR1 367/4885CNR2 235/4885

“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.