SCHEMBL17050489

SCHEMBL17050489

c1ccc(COc2ccc3c(c2)CCN3c2nccs2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.53
HRH3 Q9Y5N1 8/20 0.51
CYP2D6 P10635 3/20 0.46
HRH1 P35367 1/20 0.46
AOC3 Q16853 2/20 0.45
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
ROCK2 O75116 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
CARM1 Q86X55 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 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
SCHEMBL17050490 0.81 AOC3 (0.46) HRH3CYP2D6AOC3
SCHEMBL17050491 0.76 PIK3CA (0.43) AOC3
SCHEMBL8407964 0.76 SMN1; SMN2 (0.56) SRD5A1
SCHEMBL28499625 0.74 HRH3 (0.70) SRD5A1HRH3CYP2D6HRH1SLC6A2
SCHEMBL11043671 0.74 SRD5A1 (0.54) SRD5A1HRH3CYP2D6HRH1SLC6A2
SCHEMBL22432716 0.73 HRH3 (0.60) SRD5A1HRH3CYP2D6HRH1PDK1
Hydrochloric Acid SCHEMBL10640696 0.73 SRD5A1 (0.53) SRD5A1HRH3CYP2D6HRH1SLC6A2
SCHEMBL9194405 0.72 HRH3 (0.53) SRD5A1HRH3CYP2D6HRH1ROCK2
SCHEMBL10636990 0.72 SRD5A1 (0.53) SRD5A1HRH3CYP2D6HRH1MAOA
SCHEMBL28757282 0.72 HRH3 (0.63) SRD5A1HRH3CYP2D6HRH1SLC6A2

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-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 US disclosed
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 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-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 SRD5A1 1134/4885HRH3 289/4885CYP2D6 645/4885

“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.