SCHEMBL8091167

SCHEMBL8091167

Cc1c(F)cccc1CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.52
GABRB2 P47870 2/20 0.52
AOC3 Q16853 1/20 0.36
ESR1 P03372 1/20 0.36
KCNH2 Q12809 1/20 0.36
P2RX7 Q99572 1/20 0.35
ACHE P22303 1/20 0.34
TAAR1 Q96RJ0 3/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CDK2 P24941 1/20 0.33
ALOX5AP P20292 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL22781148 0.84 GABRA1 (0.62) GABRA1GABRB2ESR1KCNH2TAAR1
SCHEMBL13692395 0.84 SLC6A2 (0.45) TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL8977117 0.84 SLC6A2 (0.45) TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL8252287 0.81 GABRA1 (0.54) GABRA1GABRB2AOC3TAAR1ALOX5AP
SCHEMBL139640 0.80 GABRA1 (0.52) GABRA1GABRB2AOC3KCNH2TAAR1
SCHEMBL11677650 0.78 GABRA1 (0.56) GABRA1GABRB2ESR1TAAR1GAA
SCHEMBL1144270 0.78 ACHE (0.37) GABRA1GABRB2AOC3P2RX7ACHE
SCHEMBL14485064 0.78 GABRA1 (0.50) GABRA1GABRB2AOC3KCNH2TAAR1
SCHEMBL22456328 0.78 GABRA1 (0.50) GABRA1GABRB2AOC3TAAR1ALDH1A1
SCHEMBL16939395 0.78 GABRA1 (0.50) GABRA1GABRB2AOC3TAAR1ALOX5AP

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-20220162203-A1 HETEROARYL DERIVATIVE, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT VORONOI INC. (KR) 2022-05-26 US disclosed
WO-2020190119-A1 HETEROARYL DERIVATIVE, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT 주식회사 보로노이 2020-09-24 WO disclosed
EP-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 EP 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-20220162203-A1 HETEROARYL DERIVATIVE, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT ERBB4, ERBB2, EGFR GABRA1 2212/4885GABRB2 1869/4885AOC3 3295/4885

“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.