SCHEMBL4792572

SCHEMBL4792572

CCN1CCN(c2nc(NC(=O)c3ccccc3)cc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.53
TLR9 Q9NR96 1/20 0.49
TLR7 Q9NYK1 1/20 0.49
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
USP2 O75604 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 2/20 0.45
POLB P06746 2/20 0.45
GBA1 P04062 1/20 0.45

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
SCHEMBL4771384 0.80 PTPN11 (0.53) CHRM1KMT2ASMN1; SMN2CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL4774807 0.79 PTPN11 (0.52) CHRM1KMT2ASMN1; SMN2CYP1A2ALDH1A1
SCHEMBL4768489 0.79 SMN1; SMN2 (0.49) CHRM1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL4793638 0.78 APAF1 (0.51) KMT2ASMN1; SMN2CYP1A2CYP2C19L3MBTL1
SCHEMBL4766207 0.78 SMN1; SMN2 (0.44) KMT2ASMN1; SMN2CYP1A2CYP2C19L3MBTL1
Hydrochloric Acid SCHEMBL4769002 0.77 SMN1; SMN2 (0.43) KMT2ASMN1; SMN2CYP1A2CYP2C19L3MBTL1
SCHEMBL4763611 0.77 SMN1; SMN2 (0.43) KMT2ASMN1; SMN2CYP1A2CYP2C19L3MBTL1
SCHEMBL4768802 0.76 SMN1; SMN2 (0.47) CHRM1KMT2ASMN1; SMN2CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4766050 0.76 SMN1; SMN2 (0.43) KMT2ASMN1; SMN2CYP1A2CYP2C19L3MBTL1
Oxalic Acid SCHEMBL4767453 0.76 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2CYP1A2CYP2C19L3MBTL1

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 CHRM1 44/4885TLR9 3996/4885TLR7 2144/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CHRM1 57/4885TLR9 4545/4885TLR7 2789/4885

“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.