SCHEMBL5345362

SCHEMBL5345362

COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(CN3CCCC3)C(C)(C)O4)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
DRD4 P21917 1/20 0.39
HTR7 P34969 3/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 3/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
SLC18A3 Q16572 1/20 0.35
HTR1A P08908 1/20 0.35
P4HB P07237 1/20 0.35
GFER P55789 1/20 0.34

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
SCHEMBL5344114 0.99 DRD2 (0.38) DRD2DRD4HTR7ALDH1A1GAA
SCHEMBL2472817 0.87 ALDH1A1 (0.43) DRD2HTR7ALDH1A1GAAHTT
SCHEMBL5346482 0.84 PTGS1 (0.41) DRD2DRD4ALDH1A1GAAHSD17B10
SCHEMBL5344820 0.83 GFER (0.39) DRD2HTR7ALDH1A1GAAMAPT
SCHEMBL5344095 0.82 ALDH1A1 (0.40) DRD2HTR7ALDH1A1GAAHTT
SCHEMBL5461634 0.82 MAPK1 (0.43) DRD2DRD4ALDH1A1GAAMAPT
SCHEMBL656741 0.82 KMT2A (0.39) DRD2HTR7ALDH1A1GAAHSD17B10
SCHEMBL5355435 0.82 ALDH1A1 (0.40) DRD2HTR7ALDH1A1GAAHTT
SCHEMBL2471607 0.82 ALDH1A1 (0.40) DRD2HTR7ALDH1A1GAAHTT
SCHEMBL5340127 0.82 MAPT (0.41) DRD2DRD4HTR7ALDH1A1GAA

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
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-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
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-26 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 (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-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use CBR1, DBH, PARK7 DRD2 860/4885DRD4 878/4885HTR7 552/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 DRD2 967/4885DRD4 626/4885HTR7 303/4885

“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.