SCHEMBL2865327

SCHEMBL2865327

O=C(C=Cc1ccccc1)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HDAC3 O15379 1/20 0.33
TNKS O95271 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33

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
SCHEMBL2856555 0.79 NPSR1 (0.38) SMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL6039467 0.77 NPSR1 (0.37) NPSR1OPRM1OPRL1RECQLPOLB
SCHEMBL2860848 0.77 HPGD (0.42) LMNASMN1; SMN2KDM4ENPSR1ALDH1A1
SCHEMBL2870601 0.77 NPSR1 (0.39) NPSR1
SCHEMBL2871618 0.76 CHRNB2 (0.40) LMNASMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL6039789 0.75 NPSR1 (0.43) SMN1; SMN2MAPTNPSR1ALDH1A1CYP1A2
SCHEMBL2862229 0.75 NPSR1 (0.39) SMN1; SMN2RAB9ANPC1NPSR1HDAC3
SCHEMBL2868059 0.75 NPSR1 (0.39) LMNASMN1; SMN2MAPTRAB9ANPC1
SCHEMBL2861932 0.74 ALDH1A1 (0.39) LMNASMN1; SMN2HTTNPSR1ALDH1A1
Hydrochloric Acid SCHEMBL2862020 0.74 HTR4 (0.39) KDM4ENPSR1ALDH1A1POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US claimed
EP-1661898-A1 BICYCLIC PIPERAZINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-31 EP claimed
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 4583/4885SMN1; SMN2 4533/4885MAPT 4830/4885

“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.