SCHEMBL4768617

SCHEMBL4768617

OCCCCc1ccc(Br)cn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
GBA1 P04062 2/20 0.39
PLAU P00749 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLS O94925 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
GRM2 Q14416 1/20 0.35
RAB9A P51151 4/20 0.34
NPC1 O15118 2/20 0.33
TSHR P16473 1/20 0.33
MCL1 Q07820 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TBXAS1 P24557 1/20 0.32

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
SCHEMBL3515320 0.94 CYP11B1 (0.41) ADRA2AADRA2BADRA2CGBA1PLAU
SCHEMBL5650 0.86 GBA1 (0.42) ADRA2AADRA2BADRA2CGBA1PLAU
SCHEMBL2358386 0.81 GBA1 (0.47) ADRA2AADRA2BADRA2CGBA1PLAU
SCHEMBL14127790 0.79 KCNH2 (0.48) ADRA2AGBA1KDM4EALDH1A1RAB9A
SCHEMBL9083017 0.79 KCNH2 (0.48) ADRA2AGBA1KDM4EALDH1A1RAB9A
SCHEMBL22748383 0.79 KCNH2 (0.48) ADRA2AGBA1KDM4EALDH1A1RAB9A
SCHEMBL9082300 0.79 KCNH2 (0.48) ADRA2AGBA1KDM4EALDH1A1RAB9A
SCHEMBL28171815 0.79 KCNH2 (0.48) ADRA2AGBA1KDM4EALDH1A1RAB9A
SCHEMBL7424809 0.78 GBA1 (0.40) ADRA2AADRA2BADRA2CGBA1PLAU
SCHEMBL10461384 0.78 GBA1 (0.48) GBA1KDM4EALDH1A1GLSGRM2

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 ADRA2A 415/4885ADRA2B 308/4885ADRA2C 704/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ADRA2A 190/4885ADRA2B 119/4885ADRA2C 138/4885

“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.