SCHEMBL4773762

SCHEMBL4773762

CCN1CCN(c2nc(-c3ccc([C@H]4C[C@@H](OC(C)=O)CCO4)cc3)cc3ccsc23)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.33
HDAC2 Q92769 1/20 0.32
RXFP1 Q9HBX9 3/20 0.31
ALDH1A1 P00352 2/20 0.31
ACHE P22303 1/20 0.31
USP2 O75604 1/20 0.31
APP P05067 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
SNCA P37840 1/20 0.31
CSNK1A1 P48729 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL4772283 1.00 SYK (0.33) SYKHDAC2RXFP1ALDH1A1ACHE
SCHEMBL4772284 1.00 SYK (0.33) SYKHDAC2RXFP1ALDH1A1ACHE
SCHEMBL4766538 0.86 SYK (0.34) SYKHDAC2RXFP1
SCHEMBL4766537 0.86 SYK (0.34) SYKHDAC2RXFP1
SCHEMBL4770924 0.86 SYK (0.34) SYKHDAC2RXFP1
SCHEMBL14102739 0.86 SYK (0.34) SYKHDAC2RXFP1
SCHEMBL4770063 0.86 ALDH1A1 (0.38) SYKALDH1A1USP2APPCYP3A4
SCHEMBL4770260 0.86 ALDH1A1 (0.38) SYKALDH1A1USP2APPCYP3A4
SCHEMBL4770067 0.86 ALDH1A1 (0.38) SYKALDH1A1USP2APPCYP3A4
Hydrochloric Acid SCHEMBL4763993 0.85 SYK (0.34) SYKHDAC2RXFP1ALDH1A1

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 6 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-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 (1 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-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SYK 2669/4885HDAC2 369/4885RXFP1 82/4885

“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.