SCHEMBL4765756

SCHEMBL4765756

COC(C)CCc1ccc(Br)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.40
ATM Q13315 1/20 0.33
TSHR P16473 1/20 0.33
GRM2 Q14416 1/20 0.33
MBOAT4 Q96T53 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
APLNR P35414 2/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLS O94925 1/20 0.30
MCHR1 Q99705 2/20 0.30

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
SCHEMBL1818006 0.84 GBA1 (0.41) GBA1ATMTSHRGRM2MBOAT4
SCHEMBL4769838 0.81 GBA1 (0.41) GBA1TSHRGRM2MBOAT4RAB9A
SCHEMBL4764571 0.79 APLNR (0.36) GBA1MBOAT4APLNR
SCHEMBL20360965 0.78 GBA1 (0.39) GBA1ATMGRM2MBOAT4NPC1
SCHEMBL1817841 0.77 GBA1 (0.43) GBA1ATMTSHRGRM2MBOAT4
SCHEMBL30458137 0.74 GBA1 (0.36) GBA1GRM2MBOAT4
SCHEMBL12837851 0.74 GBA1 (0.41) GBA1ATMTSHRGRM2MBOAT4
SCHEMBL1820441 0.74 GBA1 (0.41) GBA1ATMTSHRGRM2MBOAT4
SCHEMBL3231706 0.74 GBA1 (0.52) GBA1ATMTSHRGRM2MBOAT4
SCHEMBL31729646 0.74 GBA1 (0.52) GBA1ATMTSHRGRM2MBOAT4

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 8 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
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 GBA1 4305/4885ATM 2092/4885TSHR 1481/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 GBA1 4235/4885ATM 1791/4885TSHR 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.