SCHEMBL14630673

SCHEMBL14630673

CC1(C(=O)O)CC=C(N2CCOCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 6/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMO O15229 2/20 0.33
FFAR3 O14843 1/20 0.33
RARB P10826 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
PIK3CA P42336 2/20 0.32
PRKDC P78527 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL1160912 0.78 APOBEC3A (0.41) APOBEC3AAPOBEC3GPOLBALDH1A1L3MBTL1
SCHEMBL10263645 0.73 LMNA (0.34) APOBEC3AAPOBEC3GPOLBALDH1A1L3MBTL1
SCHEMBL13562310 0.71 LMNA (0.33) APOBEC3AAPOBEC3GPOLBALDH1A1L3MBTL1
SCHEMBL876978 0.70 LGMN (0.38) APOBEC3AAPOBEC3GALDH1A1L3MBTL1MAPT
SCHEMBL18466440 0.69 FFAR3 (0.44) FFAR3
SCHEMBL1751400 0.69 FFAR3 (0.44) FFAR3
SCHEMBL21181627 0.67 FFAR3 (0.43) FFAR3
SCHEMBL13185545 0.66 FFAR3 (0.41) FFAR3
SCHEMBL2483038 0.66 CYP2C9 (0.38) POLBALDH1A1NPSR1KMOMAPT
SCHEMBL27793746 0.65 LMNA (0.43) APOBEC3AAPOBEC3GPOLBALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948431-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-03-13 EP disclosed
EP-2734529-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2018-09-05 EP disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-9446130-B2 BTK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-09-20 US disclosed
US-20150353565-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
EP-2948431-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-12-02 EP disclosed
US-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 US disclosed
WO-2014116504-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
WO-2014113942-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
EP-2734529-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-05-28 EP disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 WO disclosed
EP-2548877-A1 4-(5-Membered fused pyridinyl)benzamides as BTK-inhibitors MSD Oss B.V. (NL) 2013-01-23 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 (3 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-20150353565-A1 BTK INHIBITORS BTK, SYK, LYN APOBEC3A 2457/4885APOBEC3G 2056/4885POLB 2848/4885
US-20170008899-A1 BTK INHIBITORS BTK, SYK, ABL1 APOBEC3A 2642/4885APOBEC3G 2587/4885POLB 2510/4885
US-20140221333-A1 BTK INHIBITORS BTK, SYK, ABL1 APOBEC3A 2535/4885APOBEC3G 2610/4885POLB 2169/4885

“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.