SCHEMBL4764263

SCHEMBL4764263

CCN1CCN(c2nc(-c3ccc(OC)cc3)cc3ccsc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.43
HRH4 Q9H3N8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACP1 P24666 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PTBP1 P26599 1/20 0.42
ALOX15 P16050 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40
NFKB1 P19838 1/20 0.39

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
Hydrochloric Acid SCHEMBL4774204 0.99 HRH3 (0.48) HRH3KMT2AMAPTHPGDMEN1
SCHEMBL4774461 0.88 KMT2A (0.52) KMT2AHPGDMEN1ALDH1A1HSD17B10
SCHEMBL4772896 0.87 SYK (0.40) HRH3KMT2AMAPTHPGDMEN1
Hydrochloric Acid SCHEMBL6292480 0.87 KMT2A (0.52) KMT2AHPGDMEN1ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL4772337 0.86 SYK (0.39) HRH3KMT2AMAPTHPGDMEN1
SCHEMBL4772890 0.86 HPGD (0.37) HRH3KMT2AMAPTHPGDMEN1
SCHEMBL4773526 0.86 FGFR1 (0.41) KMT2AMAPTHPGDMEN1ALDH1A1
Hydrochloric Acid SCHEMBL4772331 0.86 HPGD (0.38) HRH3KMT2AMAPTHPGDMEN1
SCHEMBL4768652 0.86 MAPK1 (0.40) KMT2AMAPTHPGDMEN1ALDH1A1
SCHEMBL6288948 0.85 SYK (0.38) HRH3KMT2AMAPTHPGDMEN1

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 191/4885KMT2A 1240/4885MAPT 1892/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HRH3 110/4885KMT2A 1300/4885MAPT 3756/4885

“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.