SCHEMBL4766183

SCHEMBL4766183

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.41
SYK P43405 7/20 0.38
WNT3A P56704 1/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD11B1 P28845 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GBA1 P04062 1/20 0.34
HTT P42858 1/20 0.34
PAX8 Q06710 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2D6 P10635 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
NOS1 P29475 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
SCHEMBL4770508 0.90 RXFP1 (0.40) RXFP1SYKPOLBHPGDMEN1
SCHEMBL4766184 0.86 RXFP1 (0.39) RXFP1SYKPOLBHPGDMEN1
SCHEMBL4773526 0.85 FGFR1 (0.41) RXFP1SYKPOLBHPGDALDH1A1
Hydrochloric Acid SCHEMBL4769238 0.85 RXFP1 (0.38) RXFP1SYKPOLBHPGDALDH1A1
SCHEMBL14102734 0.84 CHEK1 (0.43) RXFP1SYKPOLBHPGDKDM4E
SCHEMBL4774234 0.84 SYK (0.38) RXFP1SYKPOLBHPGDMEN1
SCHEMBL4765464 0.84 SYK (0.39) RXFP1SYKPOLBHPGDMEN1
Hydrochloric Acid SCHEMBL4770163 0.83 SYK (0.37) RXFP1SYKPOLBHPGDALDH1A1
SCHEMBL4770235 0.83 HPGD (0.37) RXFP1POLBHPGDALDH1A1TSHR
SCHEMBL4769788 0.83 PTK2 (0.39) RXFP1SYKPOLBHPGDGBA1

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 634/4885SYK 3149/4885WNT3A 2512/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 RXFP1 82/4885SYK 2669/4885WNT3A 3414/4885

“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.