SCHEMBL4768458

SCHEMBL4768458

CCN1CCN(c2nc(-c3ccccc3S(=O)(=O)N3CCSCC3)cc3ccccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.46
KMT2A Q03164 4/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
CYP2D6 P10635 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HTR6 P50406 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
PAX8 Q06710 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 1/20 0.37

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 SCHEMBL4766099 0.99 GBA1 (0.45) GBA1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL4769787 0.89 PIK3CD (0.48) GBA1KMT2AMEN1SMN1; SMN2HTR6
Hydrochloric Acid SCHEMBL4768974 0.88 PIK3CD (0.47) GBA1KMT2AMEN1HTR6L3MBTL1
SCHEMBL6288588 0.88 GBA1 (0.43) GBA1KMT2AMEN1SMN1; SMN2CYP2D6
Hydrochloric Acid SCHEMBL4763541 0.87 KMT2A (0.43) GBA1KMT2AMEN1SMN1; SMN2CYP2D6
SCHEMBL4768462 0.85 GBA1 (0.55) GBA1CYP2D6CNR1CNR2KDM2B
Hydrochloric Acid SCHEMBL4766106 0.84 GBA1 (0.54) GBA1CYP2D6CNR1CNR2KDM2B
SCHEMBL4769934 0.80 KMT2A (0.43) GBA1KMT2AMEN1SMN1; SMN2CYP2D6
Hydrochloric Acid SCHEMBL4766871 0.79 KMT2A (0.44) GBA1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL4766228 0.77 KMT2A (0.49) GBA1KMT2AMEN1TSHRSMN1; SMN2

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 GBA1 4305/4885KMT2A 1240/4885MEN1 786/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 GBA1 4235/4885KMT2A 1300/4885MEN1 1171/4885

“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.