SCHEMBL4770508

SCHEMBL4770508

CCN1CCN(c2nc(-c3ccc(CCC(C)=O)cc3)cc3ccsc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.40
NOS1 P29475 1/20 0.36
SYK P43405 8/20 0.36
MCHR1 Q99705 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GBA1 P04062 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
PAX8 Q06710 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 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
SCHEMBL4766183 0.90 RXFP1 (0.41) RXFP1NOS1SYKMEN1KMT2A
SCHEMBL4770817 0.89 HRH3 (0.40) RXFP1SYKMCHR1HTTSMN1; SMN2
SCHEMBL4765464 0.86 SYK (0.39) RXFP1SYKMEN1KMT2AGBA1
Hydrochloric Acid SCHEMBL4769740 0.85 SYK (0.39) RXFP1SYKMEN1KMT2AGBA1
SCHEMBL4774234 0.84 SYK (0.38) RXFP1SYKMEN1KMT2AGBA1
SCHEMBL4771981 0.84 RXFP1 (0.38) RXFP1SYKMEN1KMT2AGBA1
Hydrochloric Acid SCHEMBL4770163 0.83 SYK (0.37) RXFP1SYKMEN1KMT2AGBA1
Hydrochloric Acid SCHEMBL4772176 0.83 RXFP1 (0.37) RXFP1SYKMEN1KMT2AGBA1
SCHEMBL4773526 0.83 FGFR1 (0.41) RXFP1SYKMEN1KMT2AGBA1
SCHEMBL4770235 0.83 HPGD (0.37) RXFP1MEN1KMT2AGBA1POLB

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 634/4885NOS1 1456/4885SYK 3149/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 RXFP1 82/4885NOS1 730/4885SYK 2669/4885

“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.