SCHEMBL4764128

SCHEMBL4764128

CC(C)OCCCc1ccc(Br)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.40
GBA1 P04062 1/20 0.38
GAA P10253 2/20 0.36
DEGS1 O15121 1/20 0.35
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATM Q13315 1/20 0.32
MCHR1 Q99705 3/20 0.31
GRM2 Q14416 1/20 0.31
TP53 P04637 1/20 0.31
MBOAT4 Q96T53 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1820441 0.81 GBA1 (0.41) ALDH1A1LMNAGBA1RAB9AKDM4E
SCHEMBL23267827 0.81 DEGS1 (0.35) ALDH1A1LMNAGBA1GAADEGS1
SCHEMBL2515176 0.80 GBA1 (0.42) ALDH1A1LMNAGBA1GAARAB9A
SCHEMBL4763675 0.79 GBA1 (0.42) ALDH1A1LMNAGBA1GAARAB9A
SCHEMBL4764131 0.77 GBA1 (0.41) GBA1GAARAB9ANPC1L3MBTL1
SCHEMBL10461384 0.75 GBA1 (0.48) ALDH1A1LMNAGBA1GAARAB9A
SCHEMBL4769838 0.75 GBA1 (0.41) ALDH1A1GBA1RAB9AKDM4ETSHR
SCHEMBL1817841 0.74 GBA1 (0.43) ALDH1A1GBA1GAARAB9AKDM4E
SCHEMBL2358386 0.74 GBA1 (0.47) ALDH1A1LMNAGBA1GAARAB9A
SCHEMBL4764169 0.74 DUT (0.37) ALDH1A1GBA1KDM4EMBOAT4

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 ALDH1A1 2989/4885LMNA 1057/4885GBA1 4305/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885LMNA 1917/4885GBA1 4235/4885

“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.