SCHEMBL4903477

SCHEMBL4903477

N#Cc1ccc2sc3c(c2c1)CC(CO)CC3

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.36
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CHRNA7 P36544 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
HTR3A P46098 1/20 0.31
KCNH2 Q12809 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4902789 0.80 STS (0.40) STS
SCHEMBL4895798 0.75 ALDH1A1 (0.40) STSCYP11B1CYP11B2KMT2A
SCHEMBL11805452 0.72 STS (0.40) STS
SCHEMBL11799238 0.72 STS (0.38) STSCYP11B1CYP11B2
SCHEMBL22070979 0.70 PNMT (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL7387150 0.70 CYP19A1 (0.47) CYP11B2SLC6A2SLC6A4SLC6A3
SCHEMBL3160662 0.66 STS (0.46) STS
SCHEMBL5741112 0.64 PTPN5 (0.40) KMT2A
SCHEMBL5508306 0.63 PNMT (0.40)
SCHEMBL4904007 0.63 PNMT (0.40)

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-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
US-7297704-B2 Cycloalkyfused indole, benzothiophene, benzofuran and idene derivatives WYETH (US) 2007-11-20 US disclosed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 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-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives TPH1, TPH2, HTR2C STS 1508/4885CYP11B1 355/4885CYP11B2 336/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C STS 1508/4885CYP11B1 355/4885CYP11B2 336/4885

“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.