SCHEMBL3787005

SCHEMBL3787005

CC(C)(C)OC(=O)N1CCC(O)(c2ncccc2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
PKLR P30613 1/20 0.48
GRM5 P41594 2/20 0.47
GRM1 Q13255 2/20 0.47
GPR119 Q8TDV5 4/20 0.46
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
DTYMK P23919 1/20 0.43
SYK P43405 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
RORC P51449 1/20 0.42
NAMPT P43490 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP3A5 P20815 1/20 0.41
PKM P14618 1/20 0.41
KDM1A O60341 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
SCHEMBL3792634 0.88 TRPV1 (0.54) POLBGRM5GRM1GPR119OPRD1
SCHEMBL3249336 0.88 POLB (0.52) POLBPKLRGRM5GPR119OPRD1
SCHEMBL5467346 0.86 PKLR (0.52) POLBPKLRGRM5GRM1GPR119
SCHEMBL3436213 0.86 POLB (0.50) POLBGRM5GPR119OPRD1OPRK1
SCHEMBL4013541 0.86 POLB (0.56) POLBPKLRGPR119OPRD1OPRK1
SCHEMBL2899666 0.84 POLB (0.47) POLBGRM5GRM1GPR119OPRD1
SCHEMBL2950039 0.84 POLB (0.47) POLBGRM5GRM1GPR119OPRD1
SCHEMBL12701930 0.84 POLB (0.48) POLBGRM5GPR119OPRD1OPRK1
SCHEMBL22980531 0.82 POLB (0.49) POLBGRM5GRM1GPR119OPRD1
SCHEMBL22980260 0.82 POLB (0.43) POLBGRM5GRM1GPR119OPRD1

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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 POLB 1134/4885PKLR 4248/4885GRM5 3710/4885

“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.