SCHEMBL4770461

SCHEMBL4770461

CCCCC(=O)c1ccc(-c2cc3ccsc3c(N3CCN(CC)CC3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 6/20 0.39
HRH1 P35367 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
RXFP1 Q9HBX9 3/20 0.36
HSD17B3 P37058 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
HTR7 P34969 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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 SCHEMBL4769497 0.99 HRH2 (0.39) HRH2HRH1L3MBTL1PDE4APDE4B
SCHEMBL4770235 0.94 HPGD (0.37) HRH2HRH1L3MBTL1RXFP1MEN1
SCHEMBL4764376 0.86 RXFP1 (0.36) HRH2HRH1RXFP1MEN1KMT2A
SCHEMBL14102734 0.86 CHEK1 (0.43) RXFP1
SCHEMBL6289169 0.86 PIK3CA (0.41)
Hydrochloric Acid SCHEMBL4764178 0.86 SYK (0.35) HRH2HRH1RXFP1MEN1KMT2A
Hydrochloric Acid SCHEMBL4769869 0.85 PIK3CA (0.40)
SCHEMBL4769788 0.84 PTK2 (0.39) RXFP1
SCHEMBL4766720 0.84 PRKD1 (0.41)
SCHEMBL4770794 0.83 ALDH1A1 (0.47) L3MBTL1RXFP1KMT2A

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 HRH2 207/4885HRH1 278/4885L3MBTL1 4124/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HRH2 85/4885HRH1 87/4885L3MBTL1 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.