SCHEMBL1787312

SCHEMBL1787312

CC(C)(C)OC(=O)N1CCc2ccc(CC(=S)N3CCOCC3)cc2CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
USP2 O75604 1/20 0.50
ESR2 Q92731 1/20 0.48
ALDH1A1 P00352 4/20 0.48
FAAH O00519 3/20 0.48
MGLL Q99685 3/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
NR1H2 P55055 1/20 0.47
NQO1 P15559 1/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL1790282 0.89 HTT (0.53) KMT2ASMN1; SMN2USP2ESR2MAPT
SCHEMBL1984815 0.83 MGLL (0.53) MEN1CYP2C19KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7138089 0.81 MEN1 (0.48) MEN1CYP2C19KMT2ASMN1; SMN2USP2
SCHEMBL1787313 0.79 ESR2 (0.59) MEN1CYP2C19KMT2ASMN1; SMN2USP2
SCHEMBL12651582 0.79 ALDH1A1 (0.58) MEN1CYP2C19KMT2ASMN1; SMN2USP2
SCHEMBL1788257 0.78 ESR2 (0.57) MEN1CYP2C19KMT2ASMN1; SMN2USP2
SCHEMBL4764988 0.76 NPC1 (0.59) MEN1KMT2ASMN1; SMN2USP2ESR2
SCHEMBL7950858 0.76 ALDH1A1 (0.55) MEN1CYP2C19KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14812959 0.75 NR1H2 (0.66) KMT2AESR2NR1H2NPC1RAB9A
SCHEMBL1790023 0.75 ESR2 (0.54) ESR2NR1H2NPC1RAB9A

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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS HRH4, HRH3, HRH2 MEN1 2515/4885CYP2C19 342/4885KMT2A 731/4885

“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.