SCHEMBL4765764

SCHEMBL4765764

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.43
HTR7 P34969 9/20 0.43
DRD2 P14416 8/20 0.43
HTR2A P28223 7/20 0.43
HTR6 P50406 7/20 0.43
PHGDH O43175 1/20 0.42
HTR1A P08908 4/20 0.41
ADRA2A P08913 3/20 0.41
HTR2C P28335 1/20 0.40
GBA1 P04062 1/20 0.40
SYK P43405 1/20 0.40
KCNH2 Q12809 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 SCHEMBL4770604 0.99 ALDH1A1 (0.46) ALDH1A1LMNAHPGDKDM4ENPC1
SCHEMBL4765144 0.91 HTR7 (0.46) LMNAMAPTSMN1; SMN2HTR7DRD2
Hydrochloric Acid SCHEMBL4773769 0.90 HTR7 (0.45) LMNAMAPTSMN1; SMN2HTR7DRD2
SCHEMBL4770341 0.89 DRD2 (0.47) LMNAMAPTSMN1; SMN2HTR7DRD2
SCHEMBL4766232 0.89 HTR7 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2HTR7
SCHEMBL4771141 0.89 GBA1 (0.43) LMNAMAPTSMN1; SMN2HTR7DRD2
Hydrochloric Acid SCHEMBL4766031 0.88 DRD2 (0.46) LMNAMAPTSMN1; SMN2HTR7DRD2
Hydrochloric Acid SCHEMBL4770876 0.88 GBA1 (0.43) LMNAMAPTSMN1; SMN2HTR7DRD2
SCHEMBL4767884 0.87 GBA1 (0.41) ALDH1A1LMNAHPGDKDM4EMAPT
SCHEMBL4766283 0.86 GBA1 (0.44) LMNAKDM4EMAPTSMN1; SMN2HTR7

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 ALDH1A1 2989/4885LMNA 1057/4885HPGD 1216/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885LMNA 1917/4885HPGD 1548/4885

“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.