Sugi Predict

Sugi Predict / Compounds / SCHEMBL4764086

SCHEMBL4764086

SCHEMBL4764086

CCN1CCN(c2nc(-c3ccc(O[C@@H](C)COC(C)=O)cc3)cc3ccsc23)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 3/20 0.35
▸ SYK P43405 3/20 0.34
▸ MAPT P10636 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33

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
SCHEMBL4764095 1.00 RXFP1 (0.35) RXFP1SYKMAPTLMNAALDH1A1
SCHEMBL6288948 0.88 SYK (0.38) RXFP1SYKMAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL4766626 0.87 SYK (0.37) RXFP1SYKMAPTLMNAALDH1A1
SCHEMBL4763795 0.87 ALDH1A1 (0.37) RXFP1SYKMAPTLMNAALDH1A1
SCHEMBL4763793 0.87 ALDH1A1 (0.37) RXFP1SYKMAPTLMNAALDH1A1
SCHEMBL4772890 0.86 HPGD (0.37) RXFP1SYKMAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL4772331 0.85 HPGD (0.38) RXFP1SYKMAPTLMNAALDH1A1
SCHEMBL4769378 0.83 ADRB2 (0.36) RXFP1SYKMAPTLMNAALDH1A1
SCHEMBL14103476 0.83 ADRB2 (0.36) RXFP1SYKMAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL4767964 0.82 ALDH1A1 (0.37) SYKMAPTLMNAALDH1A1HPGD

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 RXFP1 634/4885SYK 3149/4885MAPT 1892/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 RXFP1 82/4885SYK 2669/4885MAPT 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.