SCHEMBL4763479

SCHEMBL4763479

CCN1CCN(c2nc(-c3ccc(S(=O)(=O)N(CC)CC)cc3)cc3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.44
CNR1 P21554 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GBA1 P04062 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 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

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 SCHEMBL4764023 0.99 LMNA (0.45) LMNAALDH1A1MAPTCNR1KDM4E
SCHEMBL4772925 0.91 KMT2A (0.44) LMNAALDH1A1MAPTCNR1KDM4E
Hydrochloric Acid SCHEMBL4775659 0.90 GBA1 (0.43) LMNAALDH1A1MAPTCNR1KDM4E
SCHEMBL4774138 0.87 GBA1 (0.46) LMNAMAPTCNR1KDM4EGBA1
SCHEMBL4763994 0.87 GBA1 (0.46) LMNAALDH1A1MAPTCNR1KDM4E
SCHEMBL4770867 0.87 GBA1 (0.42) LMNAALDH1A1MAPTCNR1KDM4E
SCHEMBL4772864 0.87 RORC (0.42) LMNAMAPTCNR1GBA1KDM2B
Hydrochloric Acid SCHEMBL4768888 0.86 GBA1 (0.46) LMNAALDH1A1MAPTCNR1KDM4E
Hydrochloric Acid SCHEMBL4772953 0.86 GBA1 (0.46) LMNAMAPTCNR1KDM4EGBA1
Hydrochloric Acid SCHEMBL4770526 0.86 GBA1 (0.41) LMNAALDH1A1MAPTCNR1KDM4E

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 LMNA 1057/4885ALDH1A1 2989/4885MAPT 1892/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 LMNA 1917/4885ALDH1A1 1071/4885MAPT 3756/4885

“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.