SCHEMBL2858289

SCHEMBL2858289

O=C(Nc1ccc(O)nc1)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.39
NPC1 O15118 8/20 0.39
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 3/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
PTBP1 P26599 1/20 0.35
ALDH1A1 P00352 3/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
F10 P00742 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
PABPC1 P11940 1/20 0.32

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
SCHEMBL2856717 0.87 NPSR1 (0.46) NPSR1TSHRSMN1; SMN2LMNAKMT2A
SCHEMBL2865017 0.86 GRIN2B (0.42) RAB9ANPC1LMNAALDH1A1PKM
SCHEMBL2864826 0.84 F10 (0.40) RAB9ANPSR1LMNAALDH1A1F10
SCHEMBL2870723 0.84 MEN1 (0.39) RAB9ANPC1NPSR1KMT2AMAPT
SCHEMBL2861932 0.84 ALDH1A1 (0.39) NPSR1SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL2862573 0.82 HCRTR2 (0.41) RAB9ANPC1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL2865919 0.82 NPSR1 (0.35) NPSR1SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL2862405 0.82 EP300 (0.47) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL2869316 0.81 NPSR1 (0.35) NPC1NPSR1SMN1; SMN2KDM4EF10
SCHEMBL2862278 0.81 GRIN2B (0.43) RAB9ANPC1TSHRSMN1; SMN2ALDH1A1

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 RAB9A 4301/4885NPC1 1081/4885NPSR1 211/4885

“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.