SCHEMBL4772877

SCHEMBL4772877

CCN1CCN(c2nc(-c3ccc(OCc4ccccc4)c(F)c3)cc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
GRM2 Q14416 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
PKN2 Q16513 1/20 0.41
ALDH1A1 P00352 3/20 0.39
CYP2D6 P10635 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 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
SCHEMBL4766177 0.89 PRMT5 (0.46) PRMT5NPC1RAB9AMAPK1HSD17B10
SCHEMBL4766322 0.88 ROCK2 (0.41) SMN1; SMN2KMT2AL3MBTL1CYP1A2CYP2C19
SCHEMBL4764466 0.87 ROCK2 (0.41) SMN1; SMN2KMT2AL3MBTL1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4770576 0.87 ROCK2 (0.41) SMN1; SMN2KMT2AL3MBTL1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL6289247 0.86 ROCK2 (0.40) SMN1; SMN2KMT2AL3MBTL1CYP1A2CYP2C19
SCHEMBL4765567 0.85 PRMT5 (0.43) PRMT5NPC1RAB9AMAPK1HSD17B10
SCHEMBL4764460 0.83 ROCK2 (0.41) SMN1; SMN2KMT2AL3MBTL1CYP1A2CYP2C19
SCHEMBL4772889 0.83 NPC1 (0.47) PRMT5NPC1RAB9AMAPK1HSD17B10
SCHEMBL4768259 0.83 SMN1; SMN2 (0.47) PRMT5NPC1RAB9AMAPK1HSD17B10
SCHEMBL4770549 0.82 ROCK2 (0.37) SMN1; SMN2KMT2AL3MBTL1CYP1A2CYP2C19

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 PRMT5 2420/4885NPC1 4578/4885RAB9A 2421/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PRMT5 738/4885NPC1 4576/4885RAB9A 2304/4885

“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.