SCHEMBL4769787

SCHEMBL4769787

CCN1CCN(c2nc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc3ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.48
GBA1 P04062 1/20 0.44
ALOX5AP P20292 3/20 0.43
FEN1 P39748 3/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HTR6 P50406 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
MPI P34949 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 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 SCHEMBL4768974 0.99 PIK3CD (0.47) PIK3CDGBA1ALOX5APFEN1KMT2A
SCHEMBL4768458 0.89 GBA1 (0.46) GBA1KMT2AMEN1HTR6ALDH1A1
Hydrochloric Acid SCHEMBL4766099 0.88 GBA1 (0.45) GBA1KMT2AMEN1HTR6ALDH1A1
SCHEMBL6288588 0.88 GBA1 (0.43) GBA1ALOX5APFEN1KMT2AMEN1
Hydrochloric Acid SCHEMBL4763541 0.87 KMT2A (0.43) GBA1ALOX5APFEN1KMT2AMEN1
SCHEMBL4769793 0.85 GBA1 (0.52) GBA1KMT2AMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4768978 0.84 GBA1 (0.52) GBA1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL4765992 0.80 PIK3CD (0.51) PIK3CDKMT2AMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4766948 0.79 PIK3CD (0.50) PIK3CDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL4766228 0.77 KMT2A (0.49) PIK3CDGBA1KMT2AMEN1ALDH1A1

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 9 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
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 PIK3CD 3238/4885GBA1 4305/4885ALOX5AP 3063/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PIK3CD 3004/4885GBA1 4235/4885ALOX5AP 3153/4885

“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.