SCHEMBL4903723

SCHEMBL4903723

CN(CCc1ccc(C(N)=O)cc1)C1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.44
MAOB P27338 1/20 0.38
CHIT1 Q13231 5/20 0.38
CHIA Q9BZP6 5/20 0.38
GRIN2B Q13224 2/20 0.38
CHI3L1 P36222 1/20 0.38
CHI3L2 Q15782 1/20 0.38
NAPEPLD Q6IQ20 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
DPP4 P27487 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PIK3CD O00329 1/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G2A P14555 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL2761949 0.86 HDAC1 (0.46) DRD3NPC1RAB9ASLC6A2SLC6A4
SCHEMBL3075455 0.81 CHIA (0.43) CHIT1CHIAGRIN2BCHI3L1CHI3L2
SCHEMBL3085819 0.76 SIGMAR1 (0.48)
SCHEMBL9283021 0.74 HRH3 (0.56) DPP4SLC6A2SLC6A4SLC6A3PLA2G10
SCHEMBL13163598 0.73 HDAC1 (0.49) NPC1RAB9AMEN1KMT2A
SCHEMBL3697068 0.73 OPRM1 (0.57) GRIN2BSLC6A2SLC6A3
SCHEMBL3090217 0.71 HRH3 (0.64) PLA2G10PLA2G2A
SCHEMBL2762220 0.71 BCL2A1 (0.38) PIK3CD
Hydrochloric Acid SCHEMBL28918864 0.70 HRH3 (0.62) PLA2G10PLA2G2A
SCHEMBL13163590 0.70 HDAC1 (0.47) NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-08 US claimed
WO-2007084815-A2 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-26 WO claimed
US-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-08 US disclosed
WO-2007084815-A2 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-26 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-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS MAP4K2, MAP3K6, MAP3K2 DRD3 4864/4885MAOB 1944/4885CHIT1 4729/4885

“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.