SCHEMBL3337740

SCHEMBL3337740

[O]C(c1ccc(F)cc1F)C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
DPP9 Q86TI2 2/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
PDE2A O00408 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
HSD11B1 P28845 1/20 0.34
HTT P42858 1/20 0.34
SLC6A2 P23975 1/20 0.34
GPR6 P46095 6/20 0.34

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
SCHEMBL3338397 0.76 CES2 (0.39) CES2CES1PTGS1PTGS2DPP4
SCHEMBL3335856 0.71 CES2 (0.40) CES2CES1GAAPOLB
SCHEMBL1349204 0.70 PDE2A (0.65) CES2CES1GAAPTGS1PTGS2
SCHEMBL24742095 0.70 PDE2A (0.40) CES2CES1DPP9DPP4DPP8
SCHEMBL18242589 0.69 CES2 (0.47) CES2CES1PDE2AIDO1TDO2
SCHEMBL3730553 0.68 CES2 (0.44) CES2CES1GAANPC1POLB
SCHEMBL3331703 0.68 NPSR1 (0.44) RAB9AHTT
SCHEMBL28395189 0.68 CES2 (0.46) CES2CES1IDO1TDO2SLC6A2
SCHEMBL7446513 0.67 SLC6A2 (0.45) CES2CES1DPP4SLC6A2
SCHEMBL18243712 0.66 CES2 (0.44) CES2CES1PDE2AIDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 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 (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-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS OPRD1, IFNAR1, NR4A1 CES2 1256/4885CES1 1748/4885GAA 4053/4885

“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.