SCHEMBL4772563

SCHEMBL4772563

CCN1CCN(c2nc(-c3ccc(OCCc4ccc(C)nc4)cc3)cc3ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.39
SCN9A Q15858 1/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
PKN2 Q16513 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
Hydrochloric Acid SCHEMBL6289207 0.99 TSHR (0.40) PRMT5RAB9ANPC1MAPTSCN9A
SCHEMBL4773966 0.85 TSHR (0.46) PRMT5RAB9ANPC1MAPTMAPK1
SCHEMBL14102674 0.85 RAB9A (0.41) PRMT5RAB9ANPC1MAPTSCN9A
Hydrochloric Acid SCHEMBL4772922 0.84 TSHR (0.48) PRMT5RAB9ANPC1MAPTMAPK1
SCHEMBL4086176 0.84 RAB9A (0.46) PRMT5RAB9ANPC1MAPTMAPK1
Hydrochloric Acid SCHEMBL4775551 0.83 RAB9A (0.45) PRMT5RAB9ANPC1MAPTMAPK1
SCHEMBL4771543 0.83 RAB9A (0.45) PRMT5RAB9ANPC1MAPTMAPK1
SCHEMBL4772825 0.83 RAB9A (0.45) PRMT5RAB9ANPC1MAPTSCN9A
SCHEMBL4772803 0.83 ALDH1A1 (0.51) PRMT5RAB9ANPC1MAPTMAPK1
SCHEMBL4768918 0.82 RAB9A (0.46) PRMT5RAB9ANPC1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US claimed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP claimed
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 2420/4885RAB9A 2421/4885NPC1 4578/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PRMT5 738/4885RAB9A 2304/4885NPC1 4576/4885

“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.