SCHEMBL2861668

SCHEMBL2861668

Cc1ccc(CC2CNCC3C(=O)OC(c4ccc(C)cc4)(c4ccc(C)cc4)N23)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
HCRTR2 O43614 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 2/20 0.32
ALOX15 P16050 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
RAB9A P51151 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
SCHEMBL2866028 0.85 NPSR1 (0.40) NPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL2859277 0.71 SLC6A3 (0.36) NPSR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2869050 0.64 NPSR1 (0.41) NPSR1L3MBTL1ALDH1A1ATMMEN1
SCHEMBL2864729 0.61 NPSR1 (0.38) NPSR1L3MBTL1ALDH1A1ALOX15MEN1
SCHEMBL2858343 0.59 NPSR1 (0.45) NPSR1KCNH2
SCHEMBL2975786 0.59 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL9193771 0.58 GLA (0.69) NPSR1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL11733436 0.56 LMNA (0.50) SLC6A2ALDH1A1HPGDMEN1KMT2A
SCHEMBL18792538 0.55 NAAA (0.50) SLC6A2SLC6A4SLC6A3KCNH2RAB9A
SCHEMBL11627271 0.54 GLA (0.64) L3MBTL1ALDH1A1MEN1KMT2A

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 211/4885SLC6A2 2828/4885SLC6A4 1960/4885

“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.