SCHEMBL4458413

SCHEMBL4458413

O=C(c1[c]cccc1)N1CCC(O)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.43
VNN1 O95497 1/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 3/20 0.41
GRM5 P41594 1/20 0.40
ADORA2B P29275 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
HDAC4 P56524 1/20 0.38
EPHX1 P07099 1/20 0.37
HPGD P15428 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
ACHE P22303 1/20 0.36
ATM Q13315 1/20 0.36
ATR Q13535 1/20 0.36

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
SCHEMBL4056659 0.87 PDK2 (0.38) PDK2VNN1RAB9ANPC1GRM5
SCHEMBL4411527 0.81 PDK2 (0.45) PDK2VNN1RAB9ANPC1
SCHEMBL4456609 0.80 L3MBTL3 (0.49) PDK2ATR
SCHEMBL1921739 0.80 L3MBTL1 (0.43) HPGD
SCHEMBL4352484 0.80 ACHE (0.59) RAB9ANPC1GRM5HPGDACHE
SCHEMBL28291394 0.80 CHRM2 (0.42) RAB9ACHRM2CHRM1EPHX1HPGD
SCHEMBL969710 0.77 HPGD (0.52) NPC1HPGD
SCHEMBL1115239 0.77 HPGD (0.47) NPC1HPGD
SCHEMBL27804524 0.77 LMNA (0.56) RAB9ANPC1HPGD
SCHEMBL16825019 0.77 L3MBTL3 (0.59) PDK2HDAC4EPHX1ACHEATR

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
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 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-20080103141-A1 New compounds GPR119, GPR3, GPR4 PDK2 3449/4885VNN1 3605/4885RAB9A 1128/4885

“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.