SCHEMBL4765804

SCHEMBL4765804

COc1ccc(-c2cc3ccccc3c(N3CCN(C4CC4)CC3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.48
TLR7 Q9NYK1 1/20 0.48
HRH3 Q9Y5N1 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SIRT1 Q96EB6 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.44
ACACA Q13085 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
PRKD1 Q15139 1/20 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
Hydrochloric Acid SCHEMBL4773586 0.99 TLR9 (0.48) TLR9TLR7HRH3KDM4EALDH1A1
SCHEMBL4774367 0.90 HRH3 (0.52) TLR9TLR7HRH3ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7688211 0.89 HRH3 (0.51) TLR9TLR7HRH3ALDH1A1LMNA
SCHEMBL4770812 0.86 HRH4 (0.56) KDM4EHPGDSIRT1NPC1RAB9A
SCHEMBL14102727 0.83 NPSR1 (0.47) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL4763566 0.83 HRH3 (0.48) HRH3KDM4EALDH1A1LMNAMAPT
SCHEMBL4772049 0.83 LMNA (0.47) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL4774137 0.83 TLR9 (0.52) TLR9TLR7KDM4EALDH1A1LMNA
SCHEMBL4772233 0.82 MERTK (0.55) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL4771287 0.82 ROCK2 (0.60) TLR9TLR7KDM4EALDH1A1NPC1

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 TLR9 3996/4885TLR7 2144/4885HRH3 191/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TLR9 4545/4885TLR7 2789/4885HRH3 110/4885

“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.