SCHEMBL4771708

SCHEMBL4771708

CCN1CCN(c2nc(-c3ccc(OCCOCc4ccccc4)c(C#N)c3)cc3ccccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.40
XDH P47989 5/20 0.39
KMT2A Q03164 2/20 0.38
USP2 O75604 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
PABPC1 P11940 1/20 0.38
CASP1 P29466 1/20 0.38
EIF4H Q15056 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RET P07949 1/20 0.37

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 0.90 PRMT5 (0.43) PRMT5KMT2ATSHRMEN1MAPT
SCHEMBL4763273 0.88 XDH (0.40) XDHKMT2AMEN1MAPTL3MBTL1
SCHEMBL4772889 0.87 NPC1 (0.47) PRMT5KMT2ATSHRMEN1MAPT
Hydrochloric Acid SCHEMBL7775541 0.87 XDH (0.40) XDHKMT2ATSHRMEN1MAPT
SCHEMBL4772877 0.81 PRMT5 (0.47) PRMT5KMT2ATSHRMEN1MAPT
SCHEMBL4765280 0.81 PRMT5 (0.44) PRMT5KMT2AUSP2TSHRMEN1
SCHEMBL7777182 0.80 XDH (0.39) XDHKMT2AMEN1MAPTL3MBTL1
Hydrochloric Acid SCHEMBL7775540 0.80 XDH (0.39) XDHKMT2ATSHRMEN1MAPT
SCHEMBL8115332 0.78 KDM1A (0.43) KMT2AUSP2TSHRMEN1MAPT
SCHEMBL4771319 0.78 SMN1; SMN2 (0.41) PRMT5KMT2AUSP2TSHRMEN1

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 2420/4885XDH 1681/4885KMT2A 1240/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PRMT5 738/4885XDH 1626/4885KMT2A 1300/4885

“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.