SCHEMBL17019083

SCHEMBL17019083

CC(C)(C)OC(=O)c1ccc(CN)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 8/20 0.42
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
NR1H2 P55055 1/20 0.39
NR1H4 Q96RI1 3/20 0.39
CHRM2 P08172 1/20 0.37

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
SCHEMBL18267322 0.88 MAPT (0.45) NPC1MAPTCASP3RAB9ASMN1; SMN2
SCHEMBL1016954 0.86 NPC1 (0.41) NPC1MAPTCASP3RAB9ASMN1; SMN2
SCHEMBL1017191 0.85 CYP4F2 (0.51) NPC1MAPTCASP3RAB9ASMN1; SMN2
SCHEMBL22084670 0.84 NPC1 (0.54) NPC1MAPTCASP3RAB9ASMN1; SMN2
SCHEMBL8246361 0.83 LOXL2 (0.44) CA12CA1CA2CA9LOXL2
SCHEMBL12979162 0.83 ALDH1A1 (0.41) MAPTLOXL2NR1H2SLC7A5
SCHEMBL1827959 0.83 LOXL2 (0.54) CSNK2A1NPC1MAPTCASP3RAB9A
SCHEMBL27688090 0.82 NPC1 (0.41) NPC1MAPTCASP3RAB9ASMN1; SMN2
SCHEMBL1018101 0.82 SLC7A5 (0.40) MAPTSMN1; SMN2LOXL2NR1H2NR1H4
SCHEMBL1016984 0.81 CA12 (0.40) NPC1MAPTCASP3RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663527-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-05-30 US disclosed
US-20160347757-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-01 US disclosed
WO-2015123090-A1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-08-20 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 (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-20160347757-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI CSNK2A1 2227/4885NPC1 1211/4885MAPT 3611/4885

“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.