Sugi Predict

Sugi Predict / Compounds / SCHEMBL4770063

SCHEMBL4770063

SCHEMBL4770063

CCN1CCN(c2nc(-c3ccc([C@H]4C[C@@H](OC(C)=O)CCO4)cc3)cc3ccccc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ PKN2 Q16513 1/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ USP2 O75604 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ APP P05067 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ SNCA P37840 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL4770067 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EMAPK1RAD52ROCK2
SCHEMBL4770260 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EMAPK1RAD52ROCK2
SCHEMBL4772283 0.86 SYK (0.33) ALDH1A1KDM4EMAPK1RAD52CYP2D6
SCHEMBL4773762 0.86 SYK (0.33) ALDH1A1KDM4EMAPK1RAD52CYP2D6
SCHEMBL4772284 0.86 SYK (0.33) ALDH1A1KDM4EMAPK1RAD52CYP2D6
SCHEMBL4768296 0.86 SMN1; SMN2 (0.38) ALDH1A1KDM4EROCK2ROCK1PKN2
SCHEMBL4774019 0.86 SMN1; SMN2 (0.38) ALDH1A1KDM4EROCK2ROCK1PKN2
SCHEMBL14103130 0.86 SMN1; SMN2 (0.38) ALDH1A1KDM4EROCK2ROCK1PKN2
SCHEMBL4768292 0.86 SMN1; SMN2 (0.38) ALDH1A1KDM4EROCK2ROCK1PKN2
SCHEMBL4769904 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EMAPK1RAD52ROCK2

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 ALDH1A1 2989/4885KDM4E 1050/4885MAPK1 1599/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885KDM4E 1058/4885MAPK1 1787/4885

“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.