SCHEMBL2474570

SCHEMBL2474570

COc1cccc(CN2CCN(c3c(C)c(C)c4c(c3C)C(c3ccc(C)cc3)C(C)(C)O4)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.45
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 5/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2B P41595 1/20 0.40
CXCR3 P49682 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GFER P55789 1/20 0.39
HTR1D P28221 1/20 0.38

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 SCHEMBL2472312 0.99 SIGMAR1 (0.44) SIGMAR1KDM4EALDH1A1GAAMAPT
SCHEMBL2475248 0.89 POLB (0.41) SIGMAR1MAPTMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL2471726 0.88 POLB (0.40) SIGMAR1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2477456 0.82 KMT2A (0.43) KDM4EALDH1A1MAPTTSHRMEN1
SCHEMBL2476913 0.82 MAPT (0.37) KDM4EALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL2471488 0.81 KDM4E (0.41) KDM4EALDH1A1CASP1CASP4CASP5
Hydrochloric Acid SCHEMBL2471730 0.81 KMT2A (0.42) KDM4EALDH1A1MAPTTSHRMEN1
Hydrochloric Acid SCHEMBL2473366 0.81 MAPT (0.37) SIGMAR1KDM4EALDH1A1MAPTMEN1
SCHEMBL2472828 0.80 GFER (0.39) SIGMAR1KDM4EALDH1A1GAAMAPT
SCHEMBL2471179 0.78 DRD2 (0.38) ALDH1A1MAPTMEN1KMT2ADRD2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411052-B1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP claimed
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US claimed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US 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 (1 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-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use CBR1, DBH, PARK7 SIGMAR1 662/4885KDM4E 1841/4885ALDH1A1 1019/4885

“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.