SCHEMBL2865644

SCHEMBL2865644

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MMP2 P08253 3/20 0.42
PPID Q08752 1/20 0.40
NPSR1 Q6W5P4 2/20 0.37
LTA4H P09960 1/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ELANE P08246 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL2863451 0.91 NPSR1 (0.36) POLBMMP2NPSR1ALDH1A1SMN1; SMN2
SCHEMBL2860998 0.87 NPSR1 (0.41) POLBNPSR1
SCHEMBL2871764 0.82 NPSR1 (0.48) NPSR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2869730 0.81 SIGMAR1 (0.43) POLBNPSR1ALDH1A1KDM4EHPGD
SCHEMBL2864536 0.80 MC4R (0.46) POLBNPSR1ALDH1A1MEN1KMT2A
SCHEMBL2864640 0.78 NPSR1 (0.38) NPSR1HPGD
SCHEMBL2868224 0.78 TDP1 (0.43) POLBNPSR1ALDH1A1SMN1; SMN2
SCHEMBL2869479 0.78 MC4R (0.41) NPSR1ALDH1A1MEN1KMT2A
SCHEMBL2868696 0.78 SIGMAR1 (0.44) POLBNPSR1MEN1KMT2A
SCHEMBL2868400 0.77 OPRL1 (0.37) NPSR1ALDH1A1MEN1KMT2AHPGD

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 POLB 3625/4885MMP2 3334/4885PPID 3900/4885

“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.