SCHEMBL2862405

SCHEMBL2862405

COc1ccc(NC(=O)C2CNCC3C(=O)OC(c4ccccc4)(c4ccccc4)N23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.47
CREBBP Q92793 1/20 0.47
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
USP2 O75604 1/20 0.43
GRIN2B Q13224 1/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GLA P06280 1/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2862278 0.90 GRIN2B (0.43) CYP2C19MEN1KMT2AALDH1A1MAPK1
SCHEMBL2856717 0.88 NPSR1 (0.46) MEN1KMT2AGRIN2BLMNAMAPT
SCHEMBL2870723 0.87 MEN1 (0.39) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL2864826 0.87 F10 (0.40) EP300CREBBPALDH1A1HTTLMNA
SCHEMBL2858289 0.82 RAB9A (0.39) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL2863506 0.80 RXFP2 (0.39) EP300RAB9AMAPTNPC1
SCHEMBL2871586 0.80 NPC1 (0.43) EP300RAB9AMAPTNPC1
SCHEMBL2863081 0.78 KDM4E (0.43) CYP2C9CYP2C19MEN1KMT2AALDH1A1
SCHEMBL6039954 0.77 NPSR1 (0.37) CYP2C9CYP2C19MEN1KMT2AALDH1A1
SCHEMBL2860848 0.77 HPGD (0.42) ALDH1A1MAPK1USP2LMNASMN1; SMN2

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 EP300 340/4885CREBBP 1851/4885CYP2C9 2322/4885

“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.