SCHEMBL17477806

SCHEMBL17477806

COC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(Br)cn2)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.47
LNPEP Q9UIQ6 8/20 0.46
ERAP2 Q6P179 5/20 0.46
PTGER4 P35408 1/20 0.41
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
F11 P03951 1/20 0.38
KLK1 P06870 1/20 0.38
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.36

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
SCHEMBL17295757 0.84 F11 (0.46) GAAMAPK1NPC1F11KLK1
SCHEMBL19278111 0.83 LNPEP (0.57) LNPEPERAP2MAPTGAAMAPK1
SCHEMBL19874085 0.81 F11 (0.45) MAPK1NPC1RAB9AF11KLK1
SCHEMBL17295708 0.76 RAB9A (0.51) MAPTGAANPC1RAB9AF11
SCHEMBL17477804 0.76 LNPEP (0.57) LNPEPERAP2KDM4EKMT2A
SCHEMBL19886605 0.76 F11 (0.44) AAK1NPC1RAB9AF11KLK1
SCHEMBL17295685 0.75 F11 (0.56) F11KLK1
SCHEMBL17295745 0.75 RAB9A (0.39) AAK1NPC1RAB9AALDH1A1
SCHEMBL17480676 0.75 LNPEP (0.47) AAK1LNPEPERAP2ALOX15
SCHEMBL17295770 0.72 CPB2 (0.42) NPC1RAB9AF11KLK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180327-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2019-05-08 EP disclosed
EP-3180327-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2019-05-08 EP disclosed
US-10011585-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-07-03 US disclosed
US-10011585-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-07-03 US disclosed
US-20170240523-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-08-24 US disclosed
US-20170240523-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-08-24 US disclosed
US-20170240523-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-08-24 US disclosed
EP-3180327-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-06-21 EP disclosed
WO-2016018701-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-02-04 WO disclosed
WO-2016018701-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-02-04 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-20170240523-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI AAK1 1521/4885LNPEP 1610/4885ERAP2 1507/4885
US-10011585-B2 Factor XIa inhibitors F11, SERPINC1, TFPI AAK1 1521/4885LNPEP 1610/4885ERAP2 1507/4885

“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.