SCHEMBL1791306

SCHEMBL1791306

O=C(C1CCC1)N1CCC(O)(Cc2ccc3c(c2)CCN(C2=CC=C2)CC3)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.41
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KEAP1 Q14145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
KDM2B Q8NHM5 2/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL1978745 0.86 AVPR1A (0.35)
SCHEMBL1790135 0.84 HDAC6 (0.39) HDAC6MEN1KMT2AALDH1A1MAPK1
SCHEMBL1791303 0.84 KDM2B (0.44) HDAC6MEN1KMT2ASMN1; SMN2KDM2B
SCHEMBL1787091 0.83 MTNR1B (0.34) MEN1KMT2AMAPT
SCHEMBL1790608 0.82 HDAC6 (0.38) HDAC6MEN1KMT2AALDH1A1MAPK1
SCHEMBL1789949 0.81 CYP3A4 (0.36) HDAC6ALDH1A1
SCHEMBL1790522 0.80 ESR2 (0.42) HDAC6
SCHEMBL1791660 0.79 CCR8 (0.34) ALDH1A1
SCHEMBL1788695 0.78 MLNR (0.31)
SCHEMBL1790199 0.77 DRD2 (0.39) L3MBTL1

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
EP-2326625-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2011-06-01 EP disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 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 (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 HDAC6 683/4885MEN1 2515/4885KMT2A 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.