SCHEMBL17999311

SCHEMBL17999311

COC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCc2[nH]c3cc(C)ccc3c2C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.43
F9 P00740 10/20 0.40
CFTR P13569 1/20 0.35
NMBR P28336 4/20 0.34
GHSR Q92847 1/20 0.34
LMNA P02545 1/20 0.33
PABPC1 P11940 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BAZ2B Q9UIF8 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
SCHEMBL17999310 1.00 TACR1 (0.43) TACR1F9CFTRNMBRGHSR
SCHEMBL17999521 0.92 F9 (0.42) TACR1F9CFTRNMBRGHSR
SCHEMBL17999520 0.92 F9 (0.42) TACR1F9CFTRNMBRGHSR
SCHEMBL29547755 0.90 F9 (0.40) TACR1F9CFTRNMBRGHSR
SCHEMBL29548267 0.89 F9 (0.40) TACR1F9CFTRNMBRGHSR
SCHEMBL29547959 0.84 TACR1 (0.38) TACR1F9NMBRGHSR
SCHEMBL5881032 0.79 TACR1 (0.51) TACR1NMBRGHSRLMNABAZ2B
SCHEMBL24461333 0.78 TACR1 (0.38) TACR1NMBRGHSRLMNA
SCHEMBL29619411 0.78 TACR1 (0.38) TACR1NMBRGHSRLMNA
SCHEMBL17999457 0.76 F9 (0.45) TACR1F9CFTRNMBRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3258929-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-04-27 EP disclosed
US-10351558-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-16 US disclosed
US-20180022747-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-01-25 US disclosed
EP-3258929-A1 FACTOR IXa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-12-27 EP disclosed
WO-2016133793-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-25 WO 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-20180022747-A1 Factor IXa Inhibitors F9, TFPI, F12 TACR1 2148/4885F9 1/4885CFTR 1583/4885
US-10351558-B2 Factor IXa inhibitors F9, TFPI, F12 TACR1 2148/4885F9 1/4885CFTR 1583/4885

“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.