SCHEMBL2865792

SCHEMBL2865792

Cc1ccc(C2(c3ccc(C)cc3)OC(=O)C3CNCC(C(=O)Nc4ccc(F)cc4F)N32)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
HTT P42858 2/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 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
SCHEMBL2862239 0.94 HTT (0.39) TP53THRBHTTATML3MBTL1
SCHEMBL2860452 0.91 GRIN2B (0.43) TP53THRBHTTSMN1; SMN2ALDH1A1
SCHEMBL2861976 0.81 ALDH1A1 (0.40) LMNAHTTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL2856717 0.77 NPSR1 (0.46) LMNASMN1; SMN2MAPT
SCHEMBL2865812 0.75 NPSR1 (0.51) TP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL2871764 0.74 NPSR1 (0.48) TP53CYP2C19SMN1; SMN2ALDH1A1PKM
SCHEMBL2867845 0.74 CYP3A4 (0.46) LMNAL3MBTL1CYP2C19ALDH1A1
SCHEMBL2861714 0.73 NPSR1 (0.40) LMNA
SCHEMBL2863081 0.72 KDM4E (0.43) LMNARXFP1CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL2871600 0.71 ALDH1A1 (0.37) LMNAHTTALDH1A1

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 TP53 2776/4885THRB 332/4885LMNA 4583/4885

“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.