SCHEMBL2861996

SCHEMBL2861996

O=C(/C=C/c1ccc(F)cc1)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
PIM1 P11309 1/20 0.38
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
GPR183 P32249 4/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
HSD11B1 P28845 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
EGFR P00533 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
DHODH Q02127 1/20 0.33

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
SCHEMBL2865327 0.94 LMNA (0.38) NPSR1ALDH1A1KMT2ARAB9AMEN1
SCHEMBL6039789 0.80 NPSR1 (0.43) NPSR1ALDH1A1
SCHEMBL2863330 0.79 NPSR1 (0.38) NPSR1PIM1KMT2AMEN1GPR183
SCHEMBL2867203 0.78 NPSR1 (0.41) NPSR1ALDH1A1HSD11B1
SCHEMBL2861972 0.78 NPSR1 (0.46) NPSR1KMT2AMEN1
SCHEMBL2870601 0.76 NPSR1 (0.39) NPSR1
SCHEMBL2856555 0.75 NPSR1 (0.38) NPSR1ALDH1A1
SCHEMBL2860452 0.75 GRIN2B (0.43) NPSR1ALDH1A1RAB9ANPC1TP53
SCHEMBL2863274 0.74 ALDH1A1 (0.41) NPSR1ALDH1A1KMT2ARAB9AMEN1
SCHEMBL6039467 0.74 NPSR1 (0.37) NPSR1

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 211/4885PIM1 3861/4885ALDH1A1 2926/4885

“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.