SCHEMBL4769898

SCHEMBL4769898

CCN1CCN(c2nc(N3CCN(c4ccccn4)CC3)cc3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
MEN1 O00255 2/20 0.47
MAPT P10636 7/20 0.47
LMNA P02545 5/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HRH3 Q9Y5N1 1/20 0.47
CHIA Q9BZP6 1/20 0.46
SMO Q99835 1/20 0.46
NPSR1 Q6W5P4 3/20 0.46
HTT P42858 3/20 0.46
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL4769411 0.85 CHRNA7 (0.59) KMT2ASMN1; SMN2L3MBTL1CYP1A2CYP2C19
SCHEMBL3867807 0.83 KDM4E (0.64) MAPTALDH1A1KDM4EHRH3TDP1
SCHEMBL4763604 0.81 SMN1; SMN2 (0.65) KMT2ASMN1; SMN2L3MBTL1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4763437 0.81 SMN1; SMN2 (0.64) KMT2ASMN1; SMN2L3MBTL1CYP1A2CYP2C19
SCHEMBL4770409 0.80 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2L3MBTL1CYP1A2CYP2C19
SCHEMBL4770401 0.80 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2L3MBTL1CYP1A2CYP2C19
SCHEMBL4774825 0.79 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2L3MBTL1CYP1A2CYP2C19
SCHEMBL4770851 0.79 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2L3MBTL1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4764248 0.79 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2L3MBTL1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4764254 0.79 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2L3MBTL1CYP1A2CYP2C19

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 1240/4885SMN1; SMN2 27/4885L3MBTL1 4124/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KMT2A 1300/4885SMN1; SMN2 37/4885L3MBTL1 2776/4885

“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.