SCHEMBL4766538

SCHEMBL4766538

CCN1CCN(c2nc(-c3ccc(C4CC(O)CCO4)cc3)cc3ccsc23)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.34
RXFP1 Q9HBX9 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD2 P14416 4/20 0.32
HTR2A P28223 4/20 0.32
DRD3 P35462 1/20 0.31
HDAC2 Q92769 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
SCHEMBL14102739 1.00 SYK (0.34) SYKRXFP1MEN1KMT2ADRD2
SCHEMBL4770924 1.00 SYK (0.34) SYKRXFP1MEN1KMT2ADRD2
SCHEMBL4766537 1.00 SYK (0.34) SYKRXFP1MEN1KMT2ADRD2
Hydrochloric Acid SCHEMBL4763993 0.99 SYK (0.34) SYKRXFP1MEN1KMT2ADRD2
Hydrochloric Acid SCHEMBL4763992 0.99 SYK (0.34) SYKRXFP1MEN1KMT2ADRD2
Hydrochloric Acid SCHEMBL4775644 0.99 SYK (0.34) SYKRXFP1MEN1KMT2ADRD2
SCHEMBL4772283 0.86 SYK (0.33) SYKRXFP1HDAC2
SCHEMBL4773762 0.86 SYK (0.33) SYKRXFP1HDAC2
SCHEMBL4772284 0.86 SYK (0.33) SYKRXFP1HDAC2
SCHEMBL4774019 0.84 SMN1; SMN2 (0.38) SYKMEN1KMT2ADRD3

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 10 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
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 SYK 3149/4885RXFP1 634/4885MEN1 786/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SYK 2669/4885RXFP1 82/4885MEN1 1171/4885

“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.