SCHEMBL4772528

SCHEMBL4772528

CCN1CCN(c2nc(-c3ccc(OC)cc3)cc3cc(C)ccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 3/20 0.43
HRH4 Q9H3N8 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ACP1 P24666 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EGFR P00533 1/20 0.40

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 SCHEMBL4764417 0.99 HRH3 (0.46) HRH3MEN1KMT2AMAPTALDH1A1
SCHEMBL4767872 0.92 HRH3 (0.49) HRH3MEN1KMT2AMAPTALDH1A1
SCHEMBL4768761 0.91 HRH3 (0.46) HRH3MEN1KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL4770506 0.91 HRH3 (0.48) HRH3MEN1KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL4775008 0.90 HRH3 (0.46) HRH3MEN1KMT2AMAPTALDH1A1
SCHEMBL4765832 0.88 TRPV4 (0.52) HRH3MEN1KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL4764497 0.87 TRPV4 (0.52) HRH3MEN1KMT2AMAPTALDH1A1
SCHEMBL4763566 0.86 HRH3 (0.48) HRH3MEN1KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL4770729 0.85 HRH3 (0.47) HRH3MEN1KMT2AMAPTALDH1A1
SCHEMBL4773895 0.83 PRKD1 (0.54) HRH3MEN1KMT2AMAPTALDH1A1

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 HRH3 191/4885MEN1 786/4885KMT2A 1240/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HRH3 110/4885MEN1 1171/4885KMT2A 1300/4885

“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.