SCHEMBL2867805

SCHEMBL2867805

O=C(Nc1csc2ccccc12)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MTNR1A P48039 1/20 0.31
FFAR3 O14843 1/20 0.31
APP P05067 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL2863081 0.84 KDM4E (0.43) MAPTRAB9ANPC1NPSR1GAA
SCHEMBL2861976 0.82 ALDH1A1 (0.40) MAPTRAB9ANPC1NPSR1TDP1
SCHEMBL2866128 0.82 STING1 (0.38) MAPTNPSR1GAA
SCHEMBL2867440 0.81 EP300 (0.42) NPSR1GAAMAPK1
SCHEMBL2863386 0.81 PTPN1 (0.40) NPSR1MAPK1
SCHEMBL2870952 0.79 SMN1; SMN2 (0.41) GAA
SCHEMBL2860452 0.79 GRIN2B (0.43) MAPTRAB9ANPC1NPSR1
SCHEMBL2861714 0.79 NPSR1 (0.40) NPSR1
SCHEMBL2856717 0.79 NPSR1 (0.46) MAPTNPSR1
SCHEMBL2869316 0.79 NPSR1 (0.35) NPC1NPSR1CYP2C9

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 MAPT 4830/4885RAB9A 4301/4885NPC1 1081/4885

“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.