SCHEMBL4769430

SCHEMBL4769430

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.37
SYK P43405 7/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
PABPC1 P11940 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
EIF4H Q15056 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2C P28335 1/20 0.34
ACP1 P24666 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CSF1R P07333 1/20 0.32

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
SCHEMBL4766184 0.86 RXFP1 (0.39) RXFP1SYKKMT2ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL4769238 0.85 RXFP1 (0.38) RXFP1SYKKMT2ASMN1; SMN2MAPT
SCHEMBL4763421 0.84 SYK (0.38) RXFP1SYKKMT2ASMN1; SMN2MAPT
SCHEMBL4763897 0.84 USP2 (0.41) KMT2ASMN1; SMN2USP2MAPTMEN1
Hydrochloric Acid SCHEMBL6292678 0.83 SYK (0.38) RXFP1SYKKMT2ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL6289172 0.82 RXFP1 (0.38) RXFP1SYKKMT2ASMN1; SMN2USP2
SCHEMBL4775422 0.82 RXFP1 (0.37) RXFP1SYKKMT2ASMN1; SMN2ACP1
SCHEMBL4766183 0.82 RXFP1 (0.41) RXFP1SYKKMT2ASMN1; SMN2USP2
SCHEMBL4770809 0.82 KDM4E (0.38) RXFP1SYKKMT2ASMN1; SMN2USP2
SCHEMBL4770817 0.81 HRH3 (0.40) RXFP1SYKSMN1; SMN2MAPTTSHR

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 3149/4885KMT2A 1240/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 RXFP1 82/4885SYK 2669/4885KMT2A 1300/4885

“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.