SCHEMBL4770882

SCHEMBL4770882

Brc1ccc(CCCOCc2ccccc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.50
HRH3 Q9Y5N1 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 1/20 0.41
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39
IDO1 P14902 1/20 0.39
NAAA Q02083 1/20 0.38
GBA1 P04062 2/20 0.37
UGCG Q16739 2/20 0.37
GBA2 Q9HCG7 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4004770 0.79 L3MBTL1 (0.58) HRH4HRH3L3MBTL1TDP1TSHR
SCHEMBL1093054 0.78 KDM4E (0.58) HRH4HRH3L3MBTL1TDP1TSHR
SCHEMBL12854771 0.78 MAOA (0.45) TDP1
SCHEMBL4069939 0.78 TDP1 (0.64) HRH4HRH3L3MBTL1TDP1TSHR
SCHEMBL4769249 0.76 HRH4 (0.57) HRH4HRH3L3MBTL1TDP1
SCHEMBL13570654 0.76 L3MBTL1 (0.58) HRH4HRH3L3MBTL1TDP1TSHR
SCHEMBL6042497 0.75 HRH4 (0.49) HRH4HRH3L3MBTL1TDP1TSHR
SCHEMBL3438748 0.75 TDP1 (0.60) HRH4HRH3L3MBTL1TDP1TSHR
SCHEMBL13643219 0.74 L3MBTL1 (0.65) HRH4HRH3L3MBTL1TDP1TSHR
SCHEMBL1092364 0.74 TDP1 (0.47) HRH4HRH3L3MBTL1TDP1TSHR

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 HRH4 205/4885HRH3 191/4885L3MBTL1 4124/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HRH4 213/4885HRH3 110/4885L3MBTL1 2776/4885

“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.