SCHEMBL2863335

SCHEMBL2863335

O=C(Nc1cccc2cccnc12)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNKS O95271 11/20 0.46
TNKS2 Q9H2K2 3/20 0.46
HIF1A Q16665 1/20 0.44
KDR P35968 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
WNT3 P56703 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 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
SCHEMBL2869316 0.88 NPSR1 (0.35) TNKSTNKS2HIF1ASMN1; SMN2NPSR1
SCHEMBL2870952 0.87 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2GAAKDM4E
SCHEMBL2863081 0.86 KDM4E (0.43) MEN1KMT2AMAPTSMN1; SMN2GAA
Hydrochloric Acid SCHEMBL2867899 0.84 AKT1 (0.36) TNKSTNKS2NPSR1
SCHEMBL2862573 0.84 HCRTR2 (0.41) SMN1; SMN2NPSR1
SCHEMBL2861976 0.83 ALDH1A1 (0.40) MEN1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL2863386 0.81 PTPN1 (0.40) KDRKMT2ASMN1; SMN2NPSR1KDM4E
SCHEMBL2861932 0.80 ALDH1A1 (0.39) MEN1KMT2ASMN1; SMN2GAANPSR1
SCHEMBL2865017 0.80 GRIN2B (0.42) MEN1KMT2A
SCHEMBL2865919 0.80 NPSR1 (0.35) SMN1; SMN2GAANPSR1

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 TNKS 3568/4885TNKS2 2233/4885HIF1A 1026/4885

“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.