SCHEMBL2869725

SCHEMBL2869725

O=C(Nc1ccc(F)cc1)C1CNCC2C(=O)OC(Cc3ccccc3)(Cc3ccccc3)N12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NR3C2 P08235 3/20 0.42
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
MAOB P27338 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CACNA1G O43497 1/20 0.37

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
SCHEMBL2863801 0.88 ALDH1A1 (0.50) MEN1KMT2ANPSR1LMNANPC1
SCHEMBL2856717 0.83 NPSR1 (0.46) MEN1KMT2ANPSR1LMNAPOLB
SCHEMBL2866314 0.81 KMT2A (0.46) MEN1KMT2ALMNANPC1POLB
SCHEMBL2865427 0.78 HTR2C (0.33) KMT2ANR3C2NPSR1POLBALDH1A1
SCHEMBL2864543 0.77 POLB (0.38) MEN1KMT2ANPSR1LMNANPC1
SCHEMBL2870723 0.74 MEN1 (0.39) MEN1KMT2ANPSR1NPC1MAOB
SCHEMBL2864826 0.74 F10 (0.40) NPSR1LMNAPOLBRAB9AALDH1A1
SCHEMBL2863274 0.72 ALDH1A1 (0.41) MEN1KMT2ANPSR1NPC1POLB
SCHEMBL2861932 0.72 ALDH1A1 (0.39) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL2862405 0.72 EP300 (0.47) MEN1KMT2ALMNANPC1RAB9A

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 MEN1 4666/4885KMT2A 922/4885NR3C2 287/4885

“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.