SCHEMBL2870723

SCHEMBL2870723

O=C(Nc1ccc(Br)cc1)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CASP6 P55212 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FPR2 P25090 6/20 0.37
RAB9A P51151 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
FAAH O00519 1/20 0.36
NPC1 O15118 1/20 0.36
FPR3 P25089 1/20 0.36
FPR1 P21462 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2856717 0.91 NPSR1 (0.46) MEN1KMT2AMAPTNPSR1FAAH
SCHEMBL2864826 0.90 F10 (0.40) NPSR1FPR2RAB9AFAAHFPR1
SCHEMBL2861932 0.88 ALDH1A1 (0.39) MEN1KMT2ANPSR1TDP1
SCHEMBL2862405 0.87 EP300 (0.47) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL2862278 0.86 GRIN2B (0.43) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL2858289 0.84 RAB9A (0.39) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL2863274 0.84 ALDH1A1 (0.41) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL2865017 0.83 GRIN2B (0.42) MEN1KMT2ARAB9ANPC1
SCHEMBL2863506 0.83 RXFP2 (0.39) MAPTNPSR1RAB9AMAOAFAAH
SCHEMBL2861976 0.82 ALDH1A1 (0.40) MEN1KMT2AMAPTNPSR1RAB9A

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-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
EP-1661898-A1 BICYCLIC PIPERAZINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-31 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-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 MEN1 4666/4885KMT2A 922/4885CASP6 4088/4885

“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.