SCHEMBL4769357

SCHEMBL4769357

CCN1CCN(c2nc(-c3ccc(OCCOCc4ccccc4)cc3)cc3cc(F)ccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SCN9A Q15858 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 2/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
KIT P10721 2/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL4765771 0.85 HTT (0.45) PRMT5SMN1; SMN2KDM4EALDH1A1HTT
Hydrochloric Acid SCHEMBL4767942 0.85 HTT (0.44) PRMT5SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL4765832 0.81 TRPV4 (0.52) SMN1; SMN2KDM4EALDH1A1HTTL3MBTL1
Hydrochloric Acid SCHEMBL4764497 0.80 TRPV4 (0.52) SMN1; SMN2KDM4EALDH1A1HTTL3MBTL1
SCHEMBL4765567 0.80 PRMT5 (0.43) PRMT5SMN1; SMN2ALDH1A1L3MBTL1LMNA
SCHEMBL4765280 0.79 PRMT5 (0.44) PRMT5SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL4763772 0.78 HTT (0.47) PRMT5SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL4772825 0.78 RAB9A (0.45) PRMT5SMN1; SMN2KDM4EALDH1A1L3MBTL1
SCHEMBL4771543 0.78 RAB9A (0.45) PRMT5SMN1; SMN2KDM4EALDH1A1L3MBTL1
SCHEMBL4772889 0.78 NPC1 (0.47) PRMT5SMN1; SMN2KDM4EALDH1A1L3MBTL1

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-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-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 (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-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PRMT5 738/4885SMN1; SMN2 37/4885KDM4E 1058/4885

“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.