SCHEMBL197368

SCHEMBL197368

CCOC(=O)N1CCc2nc(C3(c4ccc(C(=O)OC)cc4)CCOCC3)sc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
PPARA Q07869 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ATM Q13315 1/20 0.40
GCK P35557 1/20 0.39
POLB P06746 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
F2RL3 Q96RI0 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 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
SCHEMBL2699924 0.94 MAPT (0.47) MAPTTP53OPRD1OPRK1PPARA
SCHEMBL2701238 0.85 NPC1 (0.41) MAPTTP53OPRD1OPRK1GCK
SCHEMBL3354933 0.84 GRAMD1A (0.42) MAPTTP53PPARANPSR1GCK
SCHEMBL196814 0.79 GRM5 (0.46) RAB9ANPC1GRM5
SCHEMBL196803 0.78 HDAC2 (0.44) MAPTTP53NPSR1GCKPOLB
SCHEMBL2698532 0.73 MAPT (0.53) MAPTTP53POLBMEN1KMT2A
SCHEMBL2699931 0.73 GRAMD1A (0.51) MAPTOPRD1OPRK1GCKGRAMD1A
SCHEMBL197423 0.73 HDAC1 (0.45) MAPTPOLBGAAGRM5
SCHEMBL1920749 0.73 GRAMD1A (0.55) MAPTGCKGRAMD1A
SCHEMBL2700450 0.70 F2RL3 (0.46) MAPTOPRD1OPRK1NPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US disclosed
US-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
EP-2326622-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-01 EP disclosed
WO-2010014611-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-02-04 WO disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 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 (2 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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 MAPT 1634/4885TP53 1239/4885OPRD1 3829/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 MAPT 1634/4885TP53 1239/4885OPRD1 3829/4885

“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.