SCHEMBL4772214

SCHEMBL4772214

COc1cc(C#N)ccc1OCCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.49
ICMT O60725 2/20 0.48
MAOB P27338 1/20 0.47
CYP19A1 P11511 2/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
FDPS P14324 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL3490042 0.88 MAOB (0.57) ARMAOBHTR1AADRA1DADRA1A
SCHEMBL18034568 0.83 MAOB (0.48) MAOBCYP19A1CYP11B1CYP11B2MAPT
SCHEMBL2573943 0.83 MAOB (0.51) MAOBCYP19A1CYP11B1CYP11B2HTR1A
SCHEMBL6766128 0.82 MAOB (0.57) ARMAOBHTR1AADRA1DADRA1A
SCHEMBL19225762 0.81 KDM4E (0.51) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL5648357 0.80 ICMT (0.53) ARICMTMAPTNPC1RAB9A
SCHEMBL5531819 0.78 AR (0.54) ARICMTMAPTL3MBTL1FDPS
SCHEMBL18034565 0.78 NPC1 (0.47) MAOBCYP19A1CYP11B1CYP11B2MAPT
SCHEMBL5138243 0.78 ALDH1A1 (0.60) MAPTNPC1RAB9AFDPSKDM4E
SCHEMBL13778650 0.77 FDPS (0.45) HTR1AADRA1DADRA1AADRA1BMAPT

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 AR 3279/4885ICMT 3177/4885MAOB 646/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 AR 2123/4885ICMT 2621/4885MAOB 756/4885

“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.