SCHEMBL4770112

SCHEMBL4770112

COc1ccc(-c2cc3ccccc3c(N3CCN(CCO)CC3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.51
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 2/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 1/20 0.47
ACP1 P24666 1/20 0.46
CFTR P13569 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
BCHE P06276 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
ACACA Q13085 1/20 0.44
CHRNA7 P36544 1/20 0.44

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 SCHEMBL4772306 0.99 HTR2A (0.50) HTR2AKMT2AKDM4EALDH1A1HPGD
SCHEMBL4766480 0.90 DRD2 (0.51) KDM4EALDH1A1HPGDHTTACP1
SCHEMBL4766857 0.90 ACP1 (0.46) KMT2AKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL4766737 0.89 DRD2 (0.50) KDM4EALDH1A1HPGDHTTACP1
Hydrochloric Acid SCHEMBL4772455 0.89 ACP1 (0.46) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4763566 0.88 HRH3 (0.48) KMT2AKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL4770729 0.87 HRH3 (0.47) KMT2AALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL4775474 0.86 SMN1; SMN2 (0.46) HTR2AKMT2AKDM4EALDH1A1HPGD
SCHEMBL4770812 0.86 HRH4 (0.56) KMT2AKDM4EHPGDMEN1USP2
Hydrochloric Acid SCHEMBL4772871 0.85 SMN1; SMN2 (0.45) HTR2AKMT2AKDM4EALDH1A1HPGD

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 HTR2A 63/4885KMT2A 1240/4885KDM4E 1050/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HTR2A 40/4885KMT2A 1300/4885KDM4E 1058/4885

“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.