SCHEMBL17356167

SCHEMBL17356167

COc1cc(-n2ccc(C(C)C)n2)cnn1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
SCHEMBL17268491 0.82 ALDH1A1 (0.32) ALDH1A1GAA
SCHEMBL15832231 0.80 RAB9A (0.41) GABRG2GABRB3GABRA5GABRA3ALDH1A1
SCHEMBL15819955 0.79 GABRG2 (0.35) GABRG2GABRB3GABRA5GABRA3
SCHEMBL17356160 0.77 CASR (0.38)
SCHEMBL15837155 0.77 GABRG2 (0.33) GABRG2GABRB3GABRA5GABRA3
SCHEMBL15980629 0.73 ABCB11 (0.47) ALDH1A1
SCHEMBL16269777 0.73 NOTUM (0.34)
SCHEMBL15935021 0.72 GABRA1 (0.41) GABRG2GABRB3GABRA5GABRA3ALDH1A1
SCHEMBL17238509 0.70
SCHEMBL19132899 0.69 NOTUM (0.40) GABRG2GABRB3GABRA5GABRA3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914727-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-03-13 US disclosed
US-9695198-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-04 US disclosed
US-9695198-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-04 US disclosed
US-20150368269-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-24 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-20150368269-A1 Factor IXa Inhibitors F9, TFPI, F13B GABRG2 1868/4885GABRB3 1811/4885GABRA5 1765/4885

“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.