SCHEMBL17295691

SCHEMBL17295691

CCOC(=O)C(CC1CC1)c1ccc(Br)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPK1 P28482 2/20 0.36
S1PR4 O95977 1/20 0.36
LMNA P02545 1/20 0.36
S1PR1 P21453 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 2/20 0.35
FPR2 P25090 2/20 0.34
OPRK1 P41145 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR2 P34972 1/20 0.33
HTT P42858 1/20 0.33
HCRTR2 O43614 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
Lithium Ion SCHEMBL17295754 0.93 RAB9A (0.34) RAB9AMAPTMEN1KMT2AMAPK1
SCHEMBL17295787 0.90 MEN1 (0.36) RAB9AMAPTMEN1KMT2AMAPK1
SCHEMBL19874122 0.89 RAB9A (0.36) RAB9AMAPTMEN1KMT2AMAPK1
SCHEMBL17295745 0.88 RAB9A (0.39) RAB9ASMN1; SMN2NPC1ALDH1A1FPR2
SCHEMBL19874136 0.85 RAB9A (0.35) RAB9AMAPTMEN1KMT2AMAPK1
SCHEMBL19874123 0.85 RAB9A (0.36) RAB9AMAPTMEN1KMT2AMAPK1
SCHEMBL19874121 0.85 RAB9A (0.36) RAB9AMAPTMEN1KMT2AMAPK1
SCHEMBL19874254 0.85 RAB9A (0.38) RAB9AMAPTMEN1KMT2AMAPK1
SCHEMBL19874176 0.84 RAB9A (0.34) RAB9AMAPTMEN1KMT2AMAPK1
SCHEMBL19874334 0.84 RAB9A (0.35) RAB9AMAPTMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180317-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2021-04-14 EP disclosed
EP-3500556-A1 PYRIDINE-1-OXIDE DERIVATIVES AND THEIR USE AS FACTOR XIA INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-06-26 EP disclosed
US-10143681-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-12-04 US disclosed
WO-2018039094-A1 PYRIDINE-1-OXIDE DERIVATIVES AND THEIR USE AS FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-01 WO disclosed
US-20180050022-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP (US) 2018-02-22 US disclosed
US-20180050022-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP (US) 2018-02-22 US disclosed
US-20180050022-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP (US) 2018-02-22 US disclosed
US-9868727-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-01-16 US disclosed
US-9783530-B2 Factor Xla inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-10 US disclosed
US-9783530-B2 Factor Xla inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-10 US disclosed
US-9783530-B2 Factor Xla inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-10 US disclosed
US-20170210732-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-27 US disclosed
US-20170197953-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-07-13 US disclosed
US-20170197953-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-07-13 US disclosed
US-20170197953-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-07-13 US disclosed
EP-3148542-A1 FACTOR XIA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-04-05 EP disclosed
CN-106413710-A Factor xia inhibitors 默沙东公司 2017-02-15 CN disclosed
WO-2015183709-A1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-03 WO disclosed
WO-2015183709-A1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-03 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 (4 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-10143681-B2 Factor XIa inhibitors F11, F2, TFPI RAB9A 1808/4885MAPT 3908/4885MEN1 864/4885
US-20170197953-A1 FACTOR XIa INHIBITORS F11, TFPI, F2 RAB9A 1862/4885MAPT 3957/4885MEN1 891/4885
US-20170210732-A1 Factor XIa Inhibitors F11, SERPINC1, TFPI RAB9A 1961/4885MAPT 3611/4885MEN1 641/4885
US-20180050022-A1 FACTOR XIa INHIBITORS F11, F2, TFPI RAB9A 1808/4885MAPT 3908/4885MEN1 864/4885

“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.