SCHEMBL3048885

SCHEMBL3048885

CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(CN3CCC(CCO)CC3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.37
NR1H2 P55055 4/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
ACHE P22303 1/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
PARP1 P09874 3/20 0.33
PARP2 Q9UGN5 2/20 0.33
HTR4 Q13639 1/20 0.33
DRD4 P21917 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL3043652 0.95 HSP90AA1 (0.37) GPR119NR1H2BRD4CREBBPPARP1
SCHEMBL3044252 0.92 BRD4 (0.36) GPR119NR1H2BRD4CREBBPPARP1
SCHEMBL3037652 0.92 BRD4 (0.38) GPR119NR1H2BRD4CREBBPACHE
SCHEMBL3038085 0.92 KDM4E (0.37) GPR119NR1H2BRD4CREBBPPDGFRB
SCHEMBL3054418 0.90 NR1H2 (0.37) NR1H2BRD4CREBBPPDGFRBKDR
SCHEMBL3047029 0.90 NR1H2 (0.37) NR1H2BRD4CREBBPPARP1SMN1; SMN2
SCHEMBL3047413 0.90 NR1H2 (0.36) NR1H2BRD4CREBBPSMN1; SMN2NR1H3
SCHEMBL3042114 0.89 SMN1; SMN2 (0.39) GPR119NR1H2BRD4CREBBPPARP1
SCHEMBL3047734 0.89 VEGFA (0.40) GPR119NR1H2
SCHEMBL3044062 0.89 PARP1 (0.45) NR1H2PARP1PARP2SIGMAR1

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-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 GPR119 941/4885NR1H2 21/4885BRD4 47/4885

“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.