SCHEMBL4774205

SCHEMBL4774205

CCN1CCN(c2nc(-c3ccc(OC[C@H](C)O)cc3)cc3ccoc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.36
TP53 P04637 3/20 0.36
USP2 O75604 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CXCR1 P25024 2/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
PRMT5 O14744 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SYK P43405 2/20 0.34
GPR119 Q8TDV5 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
SCHEMBL6288614 1.00 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10TP53USP2
SCHEMBL4773253 1.00 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10TP53USP2
Hydrochloric Acid SCHEMBL4768857 0.99 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10TP53USP2
Hydrochloric Acid SCHEMBL6732465 0.99 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10TP53USP2
Hydrochloric Acid SCHEMBL4768848 0.99 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10TP53USP2
SCHEMBL14103117 0.90 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10TP53USP2
SCHEMBL6289256 0.87 MAPK1 (0.41) ALDH1A1KDM4EHSD17B10TP53USP2
SCHEMBL4770738 0.85 MAPK1 (0.42) ALDH1A1KDM4EHSD17B10TP53USP2
SCHEMBL4772987 0.85 HRH3 (0.46) ALDH1A1KDM4EHSD17B10TP53LMNA
Hydrochloric Acid SCHEMBL4771070 0.85 MAPK1 (0.42) ALDH1A1KDM4EHSD17B10TP53USP2

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 ALDH1A1 2989/4885KDM4E 1050/4885HSD17B10 3854/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885KDM4E 1058/4885HSD17B10 3472/4885

“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.