SCHEMBL2862412

SCHEMBL2862412

O=C1CCN(C(=O)C2CNCC3C(=O)OC(c4ccccc4)(c4ccccc4)N32)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.35
UCHL1 P09936 5/20 0.32
USP30 Q70CQ3 2/20 0.32
NOTUM Q6P988 1/20 0.32
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TFPI2 P48307 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL2868928 0.78 NPSR1 (0.41) NPSR1ALDH1A1POLBKMT2A
SCHEMBL2864626 0.77 KEAP1 (0.41) RAB9AHTTNPSR1NOTUMALDH1A1
SCHEMBL2861714 0.74 NPSR1 (0.40) LMNANPSR1POLB
SCHEMBL2863242 0.74 HRH3 (0.44) NPSR1TP53POLB
SCHEMBL2861020 0.73 NPSR1 (0.37) NPSR1
SCHEMBL2856555 0.73 NPSR1 (0.38) NPSR1ALDH1A1POLB
SCHEMBL2863108 0.73 L3MBTL1 (0.44) LMNARAB9ANPSR1TSHRALDH1A1
SCHEMBL2858188 0.73 L3MBTL1 (0.44) LMNARAB9ANPSR1TSHRALDH1A1
SCHEMBL2871903 0.73 NPSR1 (0.40) LMNANPSR1TDP1KMT2A
SCHEMBL2863393 0.72 CHRM2 (0.41) NPSR1TSHR

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 LMNA 4583/4885RAB9A 4301/4885HTT 3138/4885

“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.