SCHEMBL5212016

SCHEMBL5212016

CC(C)(C)OC(=O)NCCCN1CCc2ccc(N)cc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.47
NR1H2 P55055 1/20 0.46
BRD4 O60885 2/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CNR2 P34972 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL5212333 0.83 DRD2 (0.49) DRD2BRD4MTNR1AMTNR1BSIGMAR1
SCHEMBL8078377 0.81 DRD2 (0.46) DRD2BRD4CYP11B1CYP11B2
SCHEMBL7673879 0.80 DRD2 (0.53) DRD2CYP11B1CYP11B2
SCHEMBL7677565 0.80 CYP1A2 (0.48) DRD2SIGMAR1CYP11B1CYP11B2
SCHEMBL4805278 0.78 NR1H2 (0.47) DRD2NR1H2BRD4SIGMAR1
SCHEMBL34473156 0.77 NR1H2 (0.45) DRD2NR1H2CYP11B1CYP11B2
SCHEMBL5212022 0.77 NR1H2 (0.46) NR1H2BRD4MTNR1AMTNR1B
SCHEMBL31129885 0.77 CYP11B1 (0.47) DRD2CYP11B1CYP11B2
SCHEMBL30741699 0.74 DRD2 (0.60) DRD2SIGMAR1ACHEBACE1
SCHEMBL18688683 0.74 DRD2 (0.58) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US disclosed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 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 (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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 DRD2 3159/4885NR1H2 1878/4885BRD4 4191/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 DRD2 3971/4885NR1H2 1874/4885BRD4 4132/4885

“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.