SCHEMBL4772889

SCHEMBL4772889

CCN1CCN(c2nc(-c3ccc(OCCOCc4ccccc4)c(OC)c3)cc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MET P08581 1/20 0.42
AXL P30530 1/20 0.42
MERTK Q12866 1/20 0.42
PRMT5 O14744 2/20 0.42
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
TLR9 Q9NR96 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AURKA O14965 1/20 0.39
ALDH1A1 P00352 3/20 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
SCHEMBL4765567 0.96 PRMT5 (0.43) NPC1RAB9ATSHRMAPK1HSD17B10
SCHEMBL4771708 0.87 PRMT5 (0.40) TSHRHSD17B10PRMT5SMN1; SMN2KMT2A
SCHEMBL4774280 0.87 KMT2A (0.43) NPC1RAB9ATSHRMAPK1HSD17B10
Hydrochloric Acid SCHEMBL4792801 0.87 KMT2A (0.42) NPC1RAB9ATSHRMAPK1HSD17B10
SCHEMBL4767877 0.86 KDM4E (0.48) NPC1RAB9ATSHRMAPK1HSD17B10
SCHEMBL8115332 0.85 KDM1A (0.43) TSHRSMN1; SMN2KMT2ACYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4766516 0.85 KDM4E (0.47) TSHRMAPK1HSD17B10SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL4773135 0.85 KDM1A (0.42) TSHRSMN1; SMN2KMT2ACYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4770743 0.83 PRMT5 (0.41) NPC1RAB9AMAPK1HSD17B10PRMT5
SCHEMBL4772877 0.83 PRMT5 (0.47) NPC1RAB9ATSHRMAPK1HSD17B10

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 NPC1 4578/4885RAB9A 2421/4885TSHR 1481/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 NPC1 4576/4885RAB9A 2304/4885TSHR 962/4885

“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.