SCHEMBL2864536

SCHEMBL2864536

O=C(NCCc1ccccc1)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.46
NPSR1 Q6W5P4 1/20 0.41
FKBP1A P62942 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.40
DPP4 P27487 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TAAR1 Q96RJ0 3/20 0.40
POLB P06746 3/20 0.40
GAA P10253 1/20 0.40
ASAH1 Q13510 1/20 0.39
P2RX4 Q99571 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL2860998 0.86 NPSR1 (0.41) MC4RNPSR1POLB
SCHEMBL2864640 0.86 NPSR1 (0.38) MC4RNPSR1
Hydrochloric Acid SCHEMBL2863761 0.85 NPSR1 (0.40) MC4RNPSR1FKBP1AKMT2AMEN1
SCHEMBL2868696 0.85 SIGMAR1 (0.44) NPSR1KMT2AMEN1POLBCYP2D6
SCHEMBL2861757 0.84 NPSR1 (0.47) MC4RNPSR1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL2860814 0.84 NPSR1 (0.37) MC4RNPSR1FKBP1AKMT2AMEN1
SCHEMBL2858188 0.84 L3MBTL1 (0.44) NPSR1KMT2AMEN1ALDH1A1POLB
SCHEMBL2869730 0.84 SIGMAR1 (0.43) NPSR1ALDH1A1POLBTP53
SCHEMBL2856315 0.84 NPSR1 (0.58) MC4RNPSR1KMT2AMEN1ALDH1A1
SCHEMBL2861714 0.84 NPSR1 (0.40) MC4RNPSR1POLB

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 MC4R 1517/4885NPSR1 211/4885FKBP1A 2259/4885

“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.