SCHEMBL4774016

SCHEMBL4774016

CCN1CCCC1CNc1nc(-c2ccc(OC)cc2)cc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 6/20 0.52
ACHE P22303 1/20 0.49
PIM1 P11309 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
DRD2 P14416 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
BTK Q06187 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SYK P43405 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 SCHEMBL4769537 0.99 ACP1 (0.51) ACP1ACHEPIM1PIM2DRD2
SCHEMBL26114878 0.80 ACHE (0.48) ACHEDRD2ALDH1A1LMNAHPGD
SCHEMBL3327772 0.77 PRKCD (0.54) ACHEDRD2KDM4EALDH1A1LMNA
SCHEMBL6288617 0.77 ACP1 (0.43) ACP1KDM4EALDH1A1LMNAHPGD
SCHEMBL4766621 0.71 HSD17B10 (0.62) ACP1ACHEKDM4EALDH1A1LMNA
SCHEMBL22639730 0.71 ACHE (0.51) ACHEPIM1PIM2DRD2IRAK4
Hydrochloric Acid SCHEMBL4772894 0.71 HSD17B10 (0.61) ACP1ACHEKDM4EALDH1A1LMNA
SCHEMBL3974946 0.70 DRD2 (0.49) DRD2KDM4EALDH1A1
SCHEMBL10797441 0.70 DRD2 (0.55) DRD2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3225924 0.69 ACHE (0.66) ACHEPIM1PIM2KDM4EALDH1A1

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
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-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 ACP1 4287/4885ACHE 35/4885PIM1 3785/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ACP1 4323/4885ACHE 94/4885PIM1 3298/4885

“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.