SCHEMBL4772543

SCHEMBL4772543

CCN1CCN(c2nc(C(O)c3ccc(OC)cc3)cc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTR1A P08908 3/20 0.41
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
KDR P35968 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
Oxalic Acid SCHEMBL4773633 0.95 ALDH1A1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL14102717 0.89 SMN1; SMN2 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL4769665 0.88 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL4773636 0.85 ALDH1A1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
Oxalic Acid SCHEMBL6292021 0.85 ALDH1A1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL4769437 0.84 MEN1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL4774313 0.81 TSHR (0.51) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
Oxalic Acid SCHEMBL4763602 0.80 ALDH1A1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL4763566 0.79 HRH3 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL4770729 0.78 HRH3 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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 MEN1 786/4885KMT2A 1240/4885ALDH1A1 2989/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MEN1 1171/4885KMT2A 1300/4885ALDH1A1 1071/4885

“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.