SCHEMBL4769838

SCHEMBL4769838

CC(O)CCc1ccc(Br)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.41
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TYR P14679 2/20 0.35
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
GRM2 Q14416 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
GLS O94925 1/20 0.33
PLAU P00749 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
MCHR1 Q99705 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
RAB9A P51151 1/20 0.33
FDPS P14324 1/20 0.33
CSNK2A1 P68400 2/20 0.33

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
SCHEMBL5144435 0.81 GBA1 (0.43) GBA1KDM4EALDH1A1ADRA2AADRA2B
SCHEMBL30305975 0.81 GBA1 (0.43) GBA1KDM4EALDH1A1ADRA2AADRA2B
SCHEMBL14464977 0.81 GBA1 (0.43) GBA1KDM4EALDH1A1ADRA2AADRA2B
SCHEMBL4770591 0.81 GBA1 (0.35) GBA1KDM4EALDH1A1GLSMAPT
SCHEMBL4765756 0.81 GBA1 (0.40) GBA1KDM4EALDH1A1GRM2GLS
SCHEMBL20360965 0.79 GBA1 (0.39) GBA1KDM4EALDH1A1GRM2MCHR1
SCHEMBL30458137 0.76 GBA1 (0.36) GBA1GRM2MBOAT4
SCHEMBL12837851 0.75 GBA1 (0.41) GBA1KDM4EALDH1A1ADRA2AADRA2B
SCHEMBL3231706 0.75 GBA1 (0.52) GBA1KDM4EALDH1A1ADRA2AADRA2B
SCHEMBL31729646 0.75 GBA1 (0.52) GBA1KDM4EALDH1A1ADRA2AADRA2B

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 4305/4885KDM4E 1050/4885ALDH1A1 2989/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 GBA1 4235/4885KDM4E 1058/4885ALDH1A1 1071/4885

“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.