SCHEMBL2870952

SCHEMBL2870952

O=C(Nc1cccc2ncccc12)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
PABPC1 P11940 2/20 0.38
EIF4H Q15056 2/20 0.38
P2RX7 Q99572 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 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
SCHEMBL2863386 0.95 PTPN1 (0.40) SMN1; SMN2ALDH1A1KDM4EKMT2ALMNA
SCHEMBL2869316 0.87 NPSR1 (0.35) SMN1; SMN2KDM4ECYP1A2CYP3A4
SCHEMBL2863081 0.87 KDM4E (0.43) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2863335 0.87 TNKS (0.46) SMN1; SMN2KDM4EMEN1KMT2AGAA
SCHEMBL2862573 0.83 HCRTR2 (0.41) SMN1; SMN2ALDH1A1HTT
SCHEMBL2861976 0.82 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2867440 0.82 EP300 (0.42) GAA
SCHEMBL2866128 0.80 STING1 (0.38) SMN1; SMN2MEN1KMT2AGAAHTT
Hydrochloric Acid SCHEMBL2867899 0.80 AKT1 (0.36) HDAC6
SCHEMBL2861932 0.80 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2AGAA

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 SMN1; SMN2 4533/4885ALDH1A1 2926/4885KDM4E 2385/4885

“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.