SCHEMBL2863451

SCHEMBL2863451

CCOC(=O)CCNC(=O)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TOP2A P11388 1/20 0.34
ELANE P08246 1/20 0.34
MMP2 P08253 1/20 0.34
OPRM1 P35372 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2865644 0.91 POLB (0.43) NPSR1ALDH1A1POLBKDM4EELANE
SCHEMBL2869730 0.83 SIGMAR1 (0.43) NPSR1ALDH1A1POLBKDM4E
SCHEMBL2864536 0.82 MC4R (0.46) NPSR1ALDH1A1POLB
SCHEMBL2860998 0.81 NPSR1 (0.41) NPSR1POLBLMNA
SCHEMBL2868400 0.81 OPRL1 (0.37) NPSR1ALDH1A1OPRM1
SCHEMBL2864640 0.81 NPSR1 (0.38) NPSR1NAMPT
SCHEMBL2871764 0.80 NPSR1 (0.48) NPSR1ALDH1A1SMN1; SMN2
SCHEMBL2868696 0.80 SIGMAR1 (0.44) NPSR1POLB
SCHEMBL2864346 0.79 HTT (0.39) NPSR1LMNA
SCHEMBL2867140 0.78 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 211/4885NAMPT 4183/4885ALDH1A1 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.