SCHEMBL2863989

SCHEMBL2863989

O=C(NC(CO)c1ccccc1)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.39
KCNQ2 O43526 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
RIPK1 Q13546 1/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
EPHX2 P34913 2/20 0.34
CFD P00746 1/20 0.34
GPR88 Q9GZN0 2/20 0.33
REN P00797 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 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
SCHEMBL2871222 0.90 NPSR1 (0.36) NPSR1GPR88RENTDP1
SCHEMBL2865936 0.87 ROCK2 (0.39) NPSR1GPR88
SCHEMBL2860848 0.86 HPGD (0.42) KCNQ3KCNQ2NPSR1
SCHEMBL2860998 0.81 NPSR1 (0.41) NPSR1
SCHEMBL2868059 0.79 NPSR1 (0.39) NPSR1
SCHEMBL2864536 0.79 MC4R (0.46) NPSR1
SCHEMBL2864640 0.77 NPSR1 (0.38) NPSR1
SCHEMBL2868224 0.77 TDP1 (0.43) NPSR1TDP1
SCHEMBL6039452 0.77 HTR4 (0.39) NPSR1
SCHEMBL2861976 0.77 ALDH1A1 (0.40) NPSR1EPHX2TDP1

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 KCNQ3 1538/4885KCNQ2 2994/4885NPSR1 211/4885

“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.