SCHEMBL4769124

SCHEMBL4769124

CCN1CCN(c2nc(-c3ccc(OC)cc3)cc3c(C)cccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HRH3 Q9Y5N1 1/20 0.46
ACP1 P24666 3/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MCHR1 Q99705 1/20 0.42
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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 SCHEMBL4766457 0.99 CYP2D6 (0.45) CYP2D6CNR1CNR2MEN1KMT2A
SCHEMBL4764250 0.87 HRH3 (0.46) CYP2D6CNR1CNR2MEN1KMT2A
Hydrochloric Acid SCHEMBL4769020 0.86 HRH3 (0.45) CYP2D6CNR1CNR2MEN1KMT2A
SCHEMBL4763566 0.85 HRH3 (0.48) MEN1KMT2AHRH3ACP1MAPT
Hydrochloric Acid SCHEMBL4770729 0.84 HRH3 (0.47) MEN1KMT2AHRH3ACP1MAPT
SCHEMBL4767872 0.82 HRH3 (0.49) MEN1KMT2AHRH3ACP1MAPT
SCHEMBL4768596 0.82 SMN1; SMN2 (0.46) MEN1KMT2AHRH3ACP1MAPT
SCHEMBL4764142 0.82 SYK (0.57) KMT2AHRH3MAPTSMN1; SMN2LMNA
SCHEMBL4772528 0.81 HRH3 (0.46) MEN1KMT2AHRH3ACP1MAPT
SCHEMBL4768761 0.81 HRH3 (0.46) MEN1KMT2AHRH3ACP1MAPT

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 CYP2D6 3573/4885CNR1 475/4885CNR2 220/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CYP2D6 2558/4885CNR1 367/4885CNR2 235/4885

“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.