SCHEMBL4775474

SCHEMBL4775474

COc1ccc(-c2cc3ccccc3c(N3CCN(CCC#N)CC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
PTBP1 P26599 1/20 0.46
ACP1 P24666 1/20 0.43
DRD2 P14416 3/20 0.42
HTR2A P28223 1/20 0.42
ELANE P08246 1/20 0.42
SIRT1 Q96EB6 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
PKN2 Q16513 1/20 0.41
DRD4 P21917 2/20 0.41
BCHE P06276 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 SCHEMBL4772871 0.99 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EHPGDPTBP1ACP1
SCHEMBL4766857 0.87 ACP1 (0.46) KDM4EHPGDACP1DRD2SIRT1
SCHEMBL4766480 0.87 DRD2 (0.51) KDM4EHPGDACP1DRD2SIRT1
SCHEMBL4770112 0.86 HTR2A (0.51) SMN1; SMN2KDM4EHPGDACP1HTR2A
Hydrochloric Acid SCHEMBL4766737 0.86 DRD2 (0.50) KDM4EHPGDACP1DRD2SIRT1
Hydrochloric Acid SCHEMBL4772455 0.86 ACP1 (0.46) KDM4EHPGDACP1DRD2SIRT1
Hydrochloric Acid SCHEMBL4772306 0.85 HTR2A (0.50) SMN1; SMN2KDM4EHPGDACP1HTR2A
SCHEMBL4763566 0.85 HRH3 (0.48) SMN1; SMN2KDM4EHPGDACP1SIRT1
Hydrochloric Acid SCHEMBL4770729 0.84 HRH3 (0.47) SMN1; SMN2HPGDACP1SIRT1ALDH1A1
SCHEMBL4770812 0.84 HRH4 (0.56) KDM4EHPGDPTBP1SIRT1KMT2A

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 SMN1; SMN2 27/4885KDM4E 1050/4885HPGD 1216/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SMN1; SMN2 37/4885KDM4E 1058/4885HPGD 1548/4885

“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.