SCHEMBL5347696

SCHEMBL5347696

COc1cccc(CCN2CCN(c3c(C)c(C)c4c(c3C)C(N3CCCC3)C(C)(C)O4)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.51
SIGMAR1 Q99720 4/20 0.50
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
SLC6A4 P31645 1/20 0.41
HTR2B P41595 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 SCHEMBL5346020 0.99 HRH3 (0.50) HRH3SIGMAR1HTR1AADRA1DADRA1A
SCHEMBL5343250 0.89 HRH3 (0.47) HRH3SIGMAR1HTR1AADRA1DADRA1A
SCHEMBL14492171 0.87 ALDH1A1 (0.42) SIGMAR1HTR1AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL5339941 0.86 ALDH1A1 (0.42) SIGMAR1HTR1AADRA1DADRA1AADRA1B
SCHEMBL5347690 0.80 HSD11B1 (0.36)
Hydrochloric Acid SCHEMBL5346017 0.79 HSD11B1 (0.36)
Hydrochloric Acid SCHEMBL5348090 0.79 ALDH1A1 (0.39) SIGMAR1
SCHEMBL14492177 0.79 ALDH1A1 (0.39) SIGMAR1
SCHEMBL5344095 0.79 ALDH1A1 (0.40) SIGMAR1
Hydrochloric Acid SCHEMBL5344733 0.78 ALDH1A1 (0.39) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HRH3 219/4885SIGMAR1 662/4885HTR1A 514/4885

“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.