SCHEMBL2856781

SCHEMBL2856781

Cc1ccc(CC2CNCC3C(=O)OC(c4ccccc4)(c4ccccc4)N23)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
HCRTR2 O43614 2/20 0.35
ADAM17 P78536 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CXCR3 P49682 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ALOX15 P16050 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CES2 O00748 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC6A9 P48067 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL2866028 0.92 NPSR1 (0.40) NPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL2869622 0.89 ATM (0.37) NPSR1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL2871764 0.79 NPSR1 (0.48) NPSR1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2871880 0.76 NPSR1 (0.40) NPSR1MEN1KMT2AALOX15L3MBTL1
SCHEMBL2869082 0.73 NPSR1 (0.38) NPSR1KMT2A
Hydrochloric Acid SCHEMBL2862198 0.70 NPSR1 (0.40) NPSR1SLC6A4L3MBTL1ALDH1A1
SCHEMBL2860998 0.69 NPSR1 (0.41) NPSR1L3MBTL1
SCHEMBL2872884 0.69 CHRM3 (0.44) NPSR1CXCR3
SCHEMBL2864536 0.69 MC4R (0.46) NPSR1MEN1KMT2AALDH1A1
SCHEMBL2863305 0.68 NPSR1 (0.45) NPSR1ALDH1A1

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 NPSR1 211/4885HCRTR2 89/4885ADAM17 3649/4885

“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.