SCHEMBL4765373

SCHEMBL4765373

CCN1CCN(c2nc(NCc3ccc(OC)cc3)cc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.50
HRH1 P35367 4/20 0.50
TLR7 Q9NYK1 4/20 0.49
TLR9 Q9NR96 3/20 0.49
MCHR1 Q99705 1/20 0.45
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ACP1 P24666 1/20 0.43
NCF1 P14598 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
Oxalic Acid SCHEMBL4769292 0.94 MCHR1 (0.49) HRH4HRH1TLR7TLR9MCHR1
SCHEMBL4765648 0.81 MAPT (0.43) TLR7TLR9MCHR1LMNA
SCHEMBL4763521 0.81 SMPD1 (0.43) MCHR1ACP1
SCHEMBL4769222 0.81 MAPT (0.47) TP53
SCHEMBL4763566 0.79 HRH3 (0.48) LMNAACP1
Hydrochloric Acid SCHEMBL4770729 0.78 HRH3 (0.47) LMNAACP1
SCHEMBL4764720 0.78 SMN1; SMN2 (0.41) LMNA
SCHEMBL4775573 0.78 PRMT5 (0.46) HRH4LMNATP53
Hydrochloric Acid SCHEMBL6289289 0.77 KMT2A (0.41) LMNA
Hydrochloric Acid SCHEMBL4769084 0.77 PRMT5 (0.45) LMNATP53

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 HRH4 205/4885HRH1 278/4885TLR7 2144/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HRH4 213/4885HRH1 87/4885TLR7 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.