SCHEMBL10072233

SCHEMBL10072233

CCC(=O)c1cc(C)no1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.64
POLB P06746 2/20 0.61
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 5/20 0.50
USP2 O75604 1/20 0.45
CHRNA4 P43681 2/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 2/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
VHL P40337 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL6558577 0.84 HCAR2 (0.60) HCAR2POLBNPC1RAB9AKMT2A
SCHEMBL1800827 0.79 HCAR2 (0.58) HCAR2POLBNPC1RAB9AKMT2A
SCHEMBL1613078 0.78
SCHEMBL222184 0.78
SCHEMBL568129 0.78 CHRNA4 (0.43) HCAR2POLBNPC1RAB9AKMT2A
SCHEMBL27864778 0.78 POLB (0.39) HCAR2POLBNPC1RAB9AKMT2A
SCHEMBL10274854 0.77 POLB (0.78) HCAR2POLBNPC1RAB9AKMT2A
SCHEMBL353474 0.77
SCHEMBL1797269 0.77
SCHEMBL11535301 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081328-A1 HISTONE DEACETYLASE 6 INHIBITOR COMPOUNDS AND USES THEREOF VALO HEALTH, INC. (US) 2023-05-11 WO disclosed
US-8940688-B2 Fluorinated tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-8101567-B2 Heteroaryl-containing tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-13 US disclosed
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-06 US disclosed
US-20090155210-A1 OXIMYL HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 US 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-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 HCAR2 738/4885POLB 3667/4885NPC1 436/4885
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS PRSS1, CTSC, SPINT2 HCAR2 3959/4885POLB 4052/4885NPC1 181/4885
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS CTSC, PRSS1, SPINT2 HCAR2 4317/4885POLB 3584/4885NPC1 163/4885
US-20090155210-A1 OXIMYL HCV SERINE PROTEASE INHIBITORS PRSS1, HPN, SPINT2 HCAR2 4291/4885POLB 3293/4885NPC1 1130/4885

“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.