SCHEMBL2867256

SCHEMBL2867256

CC(C)(C)N(Cc1cccc(C(=O)C2CNCC3C(=O)OC(c4ccccc4)(c4ccccc4)N32)c1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 3/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PTPN1 P18031 1/20 0.31
OPRM1 P35372 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
SCHEMBL2861768 0.87 NPSR1 (0.38) MEN1KMT2ANPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL2863722 0.83 NPSR1 (0.37) TSHRNPSR1SLC6A4
SCHEMBL2859475 0.79 NPSR1 (0.35) MEN1KMT2ALMNATSHRNPSR1
SCHEMBL2863358 0.78 UNG (0.37) NPSR1OPRM1
Hydrochloric Acid SCHEMBL2862198 0.77 NPSR1 (0.40) NPSR1L3MBTL1ALDH1A1SLC6A4
SCHEMBL2869050 0.74 NPSR1 (0.41) MEN1KMT2ANPC1NPSR1HTT
SCHEMBL2864536 0.71 MC4R (0.46) MEN1KMT2ANPSR1ALDH1A1
SCHEMBL2869479 0.70 MC4R (0.41) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL2871618 0.70 CHRNB2 (0.40) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL2860998 0.69 NPSR1 (0.41) LMNATSHRNPSR1L3MBTL1

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 922/4885NPC1 1081/4885

“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.