SCHEMBL17048425

SCHEMBL17048425

COC(=O)c1cccc(SCC(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
MAP1LC3B Q9GZQ8 1/20 0.47
MAP1LC3A Q9H492 1/20 0.47
SLC7A5 Q01650 1/20 0.46
TSHR P16473 1/20 0.44
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
NPC1 O15118 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5315809 0.83 APEX1 (0.63) MTNR1AMTNR1BMAP1LC3BMAP1LC3APOLB
SCHEMBL5316347 0.81 PARP1 (0.47) MTNR1AMTNR1BMAP1LC3BMAP1LC3AAPEX1
SCHEMBL2585292 0.81 KMT2A (0.49) LOXL2CYP4A11TSHRRAB9AMEN1
SCHEMBL670864 0.80 APEX1 (0.51) LOXL2CYP4F2CYP4A11SLC7A5TSHR
SCHEMBL4250794 0.80 LOXL2 (0.49) MTNR1AMTNR1BLOXL2CYP4F2CYP4A11
SCHEMBL6618421 0.79 LOXL2 (0.49) MTNR1AMTNR1BLOXL2CYP4F2CYP4A11
SCHEMBL29571134 0.79 CYP1A2 (0.60) LOXL2CYP4F2CYP4A11TSHRRAB9A
SCHEMBL9315162 0.79 CYP1A2 (0.60) LOXL2CYP4F2CYP4A11TSHRRAB9A
SCHEMBL10581932 0.78 APEX1 (0.44) MTNR1AMTNR1BLOXL2CYP4F2CYP4A11
SCHEMBL16499612 0.78 L3MBTL1 (0.55) MTNR1AMTNR1BLOXL2CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-13 US disclosed
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-13 US disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
EP-3110794-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2017-01-04 EP disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
WO-2015130905-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-03 WO disclosed
WO-2015130905-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-03 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 (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-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A MTNR1A 3933/4885MTNR1B 3240/4885LOXL2 4545/4885
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A MTNR1A 3933/4885MTNR1B 3240/4885LOXL2 4545/4885
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof CACNA1B, CACNG6, SCN5A MTNR1A 3933/4885MTNR1B 3240/4885LOXL2 4545/4885

“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.