SCHEMBL4769437

SCHEMBL4769437

CCN1CCN(c2nc(C(O)c3ccccc3OC)cc3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 6/20 0.43
ALDH1A1 P00352 3/20 0.43
ACHE P22303 2/20 0.43
USP2 O75604 2/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 6/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HIF1A Q16665 2/20 0.41
NR1I2 O75469 1/20 0.41
NR3C1 P04150 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 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
Oxalic Acid SCHEMBL4763602 0.95 ALDH1A1 (0.44) MEN1KMT2ALMNAALDH1A1USP2
SCHEMBL4763607 0.85 ALDH1A1 (0.42) MEN1KMT2ALMNAALDH1A1USP2
SCHEMBL4772543 0.84 MEN1 (0.46) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL14102717 0.83 SMN1; SMN2 (0.46) MEN1KMT2ALMNAALDH1A1POLB
Oxalic Acid SCHEMBL4773633 0.80 ALDH1A1 (0.46) MEN1KMT2ALMNAALDH1A1USP2
SCHEMBL4774313 0.78 TSHR (0.51) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL4771992 0.78 CHRM5 (0.48) MEN1KMT2ALMNAALDH1A1USP2
SCHEMBL4768653 0.78 CYP1A2 (0.48) MEN1KMT2ALMNAALDH1A1USP2
Hydrochloric Acid SCHEMBL6292095 0.77 KMT2A (0.48) MEN1KMT2ALMNAALDH1A1USP2
SCHEMBL4769665 0.77 SMN1; SMN2 (0.43) MEN1KMT2ALMNAALDH1A1POLB

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 1240/4885LMNA 1057/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MEN1 1171/4885KMT2A 1300/4885LMNA 1917/4885

“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.