SCHEMBL4771992

SCHEMBL4771992

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
ALDH1A1 P00352 3/20 0.47
USP2 O75604 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
CNR2 P34972 1/20 0.45
DRD4 P21917 3/20 0.44
DRD2 P14416 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 1/20 0.44
NTSR1 P30989 1/20 0.43
APOBEC3A P31941 1/20 0.43
RAD52 P43351 1/20 0.43
RAB9A P51151 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
KMT2A Q03164 2/20 0.43

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 SCHEMBL4765120 0.97 CHRM5 (0.46) CHRM5CHRM1CHRM3ALDH1A1USP2
SCHEMBL4771995 0.83 ALDH1A1 (0.56) CHRM1ALDH1A1LMNAPOLBDRD4
Oxalic Acid SCHEMBL4768201 0.81 ALDH1A1 (0.54) CHRM1ALDH1A1LMNAPOLBKDM4E
Oxalic Acid SCHEMBL4763602 0.78 ALDH1A1 (0.44) CHRM5CHRM1CHRM3ALDH1A1USP2
SCHEMBL4769437 0.78 MEN1 (0.44) ALDH1A1USP2LMNATP53POLB
SCHEMBL4768653 0.77 CYP1A2 (0.48) ALDH1A1USP2LMNAKDM4EMAPK1
Oxalic Acid SCHEMBL4765656 0.77 ALDH1A1 (0.48) ALDH1A1USP2LMNATP53POLB
Hydrochloric Acid SCHEMBL6292095 0.76 KMT2A (0.48) ALDH1A1USP2LMNAKDM4EMAPK1
SCHEMBL4763607 0.76 ALDH1A1 (0.42) CHRM5CHRM1CHRM3ALDH1A1USP2
Oxalic Acid SCHEMBL6288628 0.75 KDM4E (0.43) ALDH1A1USP2LMNATP53POLB

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 9 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
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 CHRM5 73/4885CHRM1 44/4885CHRM3 78/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CHRM5 155/4885CHRM1 57/4885CHRM3 58/4885

“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.