SCHEMBL4769378

SCHEMBL4769378

CCN1CCN(c2nc(-c3ccc(OCC(C)O)cc3)cc3ccsc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
SYK P43405 2/20 0.36
CXCR1 P25024 2/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PRMT5 O14744 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KDM4E B2RXH2 4/20 0.35
TP53 P04637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.34
RXFP1 Q9HBX9 3/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL14103476 1.00 ADRB2 (0.36) ADRB2ADRB1ADRB3SYKCXCR1
Hydrochloric Acid SCHEMBL4767964 0.99 ALDH1A1 (0.37) ADRB2ADRB1ADRB3SYKCXCR1
SCHEMBL4772890 0.88 HPGD (0.37) SYKCXCR1ALDH1A1HPGDMEN1
SCHEMBL4763793 0.87 ALDH1A1 (0.37) SYKCXCR1ALDH1A1HPGDMEN1
SCHEMBL4763795 0.87 ALDH1A1 (0.37) SYKCXCR1ALDH1A1HPGDMEN1
Hydrochloric Acid SCHEMBL4772331 0.87 HPGD (0.38) SYKCXCR1ALDH1A1HPGDMEN1
SCHEMBL4772896 0.87 SYK (0.40) SYKCXCR1ALDH1A1HPGDMEN1
Hydrochloric Acid SCHEMBL4772337 0.86 SYK (0.39) SYKCXCR1ALDH1A1HPGDMEN1
SCHEMBL4772067 0.86 CSNK2A2 (0.37) CXCR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL4768652 0.85 MAPK1 (0.40) SYKCXCR1ALDH1A1HPGDMEN1

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 9 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
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 ADRB2 470/4885ADRB1 534/4885ADRB3 1359/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ADRB2 73/4885ADRB1 95/4885ADRB3 120/4885

“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.