SCHEMBL4771141

SCHEMBL4771141

CCNS(=O)(=O)c1ccc(-c2cc3ccccc3c(N3CCN(CC)CC3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
DRD2 P14416 6/20 0.43
HTR2A P28223 6/20 0.43
HTR7 P34969 6/20 0.43
HTR6 P50406 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
PKN2 Q16513 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.39
CNR1 P21554 1/20 0.39

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
Hydrochloric Acid SCHEMBL4770876 0.99 GBA1 (0.43) GBA1DRD2HTR2AHTR7HTR6
SCHEMBL4765144 0.92 HTR7 (0.46) GBA1DRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL4773769 0.91 HTR7 (0.45) GBA1DRD2HTR2AHTR7HTR6
SCHEMBL4766283 0.91 GBA1 (0.44) GBA1DRD2HTR2AHTR7HTR6
SCHEMBL4770341 0.90 DRD2 (0.47) GBA1DRD2HTR2AHTR7HTR6
SCHEMBL4767462 0.90 DRD2 (0.47) GBA1DRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL4763563 0.90 GBA1 (0.43) GBA1DRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL4766031 0.89 DRD2 (0.46) GBA1DRD2HTR2AHTR7HTR6
SCHEMBL4774328 0.89 GBA1 (0.43) GBA1DRD2HTR2AHTR7HTR6
SCHEMBL4765764 0.89 ALDH1A1 (0.46) GBA1DRD2HTR2AHTR7HTR6

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-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 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 GBA1 4305/4885DRD2 1877/4885HTR2A 63/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 GBA1 4235/4885DRD2 237/4885HTR2A 40/4885

“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.