SCHEMBL2862239

SCHEMBL2862239

O=C(Nc1ccc(F)cc1F)C1CNCC2C(=O)OC(c3ccc(F)cc3)(c3ccc(F)cc3)N12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
CYP2C19 P33261 1/20 0.38
F10 P00742 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2865792 0.94 TP53 (0.38) HTTTP53CYP2C19ATML3MBTL1
SCHEMBL2860452 0.94 GRIN2B (0.43) HTTTP53F10NPSR1THRB
SCHEMBL2861976 0.84 ALDH1A1 (0.40) HTTF10L3MBTL1NPSR1SMN1; SMN2
SCHEMBL2856717 0.82 NPSR1 (0.46) NPSR1SMN1; SMN2POLBKMT2A
SCHEMBL2865812 0.81 NPSR1 (0.51) TP53NPSR1SMN1; SMN2KMT2A
SCHEMBL2863274 0.79 ALDH1A1 (0.41) HTTCYP2C19L3MBTL1NPSR1POLB
SCHEMBL2856315 0.76 NPSR1 (0.58) NPSR1SMN1; SMN2POLBKMT2A
SCHEMBL2863395 0.76 HTR3A (0.40) L3MBTL1NPSR1KMT2A
SCHEMBL2856685 0.76 NPSR1 (0.49) NPSR1THRBKMT2A
SCHEMBL2863081 0.75 KDM4E (0.43) CYP2C19NPSR1SMN1; SMN2POLBKMT2A

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 HTT 3138/4885TP53 2776/4885CYP2C19 1535/4885

“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.