SCHEMBL1789393

SCHEMBL1789393

N#CCc1ccc2c(c1)CCN(C(=O)O)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
FAAH O00519 1/20 0.38
FFAR1 O14842 1/20 0.36
CYP11B2 P19099 1/20 0.35
RXRB P28702 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
S1PR1 P21453 2/20 0.35
GRM5 P41594 1/20 0.35
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4019716 0.92 ESR1 (0.41) NPC1KMT2ARAB9AMEN1S1PR1
SCHEMBL1772601 0.92 ESR2 (0.41) NPC1KMT2ARAB9AMEN1HDAC6
SCHEMBL18584721 0.81 NAMPT (0.42) NPC1KMT2ARAB9AFAAHRXRB
SCHEMBL1790023 0.80 ESR2 (0.54) NPC1RAB9ATP53PRMT5WDR77
SCHEMBL4521078 0.77 ENPP2 (0.39) RXRBHSD17B10KDM4EALOX15TSHR
SCHEMBL20720388 0.77 AKR1C3 (0.48) MEN1MAPTESR1ESR2
SCHEMBL1773799 0.76 ESR2 (0.65) NPC1RAB9AHDAC6MAPTPRMT5
SCHEMBL1285604 0.76 NR1H2 (0.63) NPC1RAB9AMAPTPRMT5WDR77
SCHEMBL1466419 0.76 RXRB (0.40) NPC1RAB9ARXRBKDM4EALDH1A1
SCHEMBL622279 0.73 DPP4 (0.43) NPC1KMT2ARAB9AMEN1KDM4E

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 4 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
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 NPC1 1764/4885KMT2A 731/4885RAB9A 2688/4885

“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.