SCHEMBL4774318

SCHEMBL4774318

CCN1CCN(c2nc(-c3ccc(OC)cc3)cc3cscc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.43
ACP1 P24666 2/20 0.42
HRH4 Q9H3N8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2D6 P10635 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
Oxalic Acid SCHEMBL4791621 0.94 HRH3 (0.44) HRH3MAPTMEN1ALDH1A1LMNA
SCHEMBL4763526 0.90 PRMT5 (0.39) HRH3MAPTMEN1ALDH1A1LMNA
SCHEMBL4772647 0.87 SYK (0.40) HRH3MAPTMEN1ALDH1A1LMNA
SCHEMBL4764656 0.86 FGFR1 (0.43) MAPTMEN1ALDH1A1LMNAHPGD
SCHEMBL4767872 0.85 HRH3 (0.49) HRH3MAPTMEN1ALDH1A1LMNA
SCHEMBL4763566 0.84 HRH3 (0.48) HRH3MAPTMEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL4770506 0.84 HRH3 (0.48) HRH3MAPTMEN1ALDH1A1LMNA
Oxalic Acid SCHEMBL4842074 0.83 ALDH1A1 (0.43) MAPTMEN1ALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL4770729 0.83 HRH3 (0.47) HRH3MAPTMEN1ALDH1A1LMNA
SCHEMBL4772528 0.82 HRH3 (0.46) HRH3MAPTMEN1ALDH1A1LMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US claimed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP claimed
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 HRH3 191/4885MAPT 1892/4885MEN1 786/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HRH3 110/4885MAPT 3756/4885MEN1 1171/4885

“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.