SCHEMBL3048852

SCHEMBL3048852

CC(C)(C)OC(=O)n1c(-c2cc(OCCCN3CCC[C@H]3CO)c(Cl)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.32
ACHE P22303 2/20 0.31
NR1H2 P55055 1/20 0.31
PDGFRB P09619 1/20 0.30
KIT P10721 1/20 0.30
KDR P35968 1/20 0.30
FLT3 P36888 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL3048856 1.00 HRH3 (0.32) HRH3ACHENR1H2PDGFRBKIT
SCHEMBL3042343 0.90 HRH3 (0.42) HRH3ACHE
SCHEMBL3044021 0.89 HRH3 (0.41) HRH3ACHEKDR
SCHEMBL3046394 0.89 NR1H2 (0.33) HRH3ACHENR1H2
SCHEMBL3159224 0.88 HRH3 (0.39) HRH3KDR
SCHEMBL5133879 0.88 HRH3 (0.33) HRH3ACHENR1H2
SCHEMBL27720805 0.87 HRH3 (0.31) HRH3ACHENR1H2
SCHEMBL3042563 0.85 TBK1 (0.32) NR1H2
SCHEMBL3043946 0.85 NR1H2 (0.34) HRH3NR1H2
SCHEMBL3052537 0.85 PARP1 (0.35) HRH3NR1H2

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-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

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 HRH3 229/4885ACHE 1850/4885NR1H2 21/4885

“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.