SCHEMBL5345813

SCHEMBL5345813

COc1ccccc1N1CCN(c2c(C)c(C)c3c(c2C)C(O)C(C)(C)O3)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.44
DRD3 P35462 5/20 0.44
HPGD P15428 1/20 0.42
HTR1A P08908 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
DRD4 P21917 1/20 0.41
AKR1C3 P42330 1/20 0.41
GLA P06280 1/20 0.41
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR3A P46098 1/20 0.40
HTR6 P50406 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL2497715 0.83 HSD11B1 (0.32) HPGDALDH1A1KDM4EPKM
SCHEMBL2472891 0.82 CTSB (0.37) CYP2C19CYP3A4
SCHEMBL2469747 0.80 SLC18A3 (0.42) DRD2AKR1C3ALDH1A1HTR3EHTR3B
SCHEMBL2475235 0.77 ABCB1 (0.42) DRD2DRD3DRD4ALDH1A1SIGMAR1
Hydrochloric Acid SCHEMBL5350515 0.76 HTR7 (0.42) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL2471782 0.75 MAPT (0.46) DRD2DRD3HPGDHTR1AADRA1A
SCHEMBL2515119 0.72 MAPT (0.39) ALDH1A1MEN1KMT2A
SCHEMBL2475934 0.70 HTR1A (0.44) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL1727278 0.70 CYP2D6 (0.38) ALDH1A1
SCHEMBL2477456 0.70 KMT2A (0.43) DRD2HTR1AALDH1A1MEN1KMT2A

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 2 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-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 DRD2 860/4885DRD3 1025/4885HPGD 74/4885

“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.