SCHEMBL2870931

SCHEMBL2870931

O=C1OC(c2ccccc2)(c2ccccc2)N2C1CNCC2C(=O)C1CCN(CC(=O)N2CCOCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
OPRM1 P35372 3/20 0.40
OPRL1 P41146 3/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HRH1 P35367 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL2871903 0.88 NPSR1 (0.40) GAAKMT2ALMNANPSR1SMN1; SMN2
SCHEMBL2856589 0.84 NPSR1 (0.39) NPSR1
SCHEMBL2870948 0.84 NPSR1 (0.39) NPSR1CACNA1G
SCHEMBL2862396 0.82 HTT (0.42) HTTOPRM1OPRL1GAAKDM4E
SCHEMBL2869042 0.81 KCNH2 (0.46) OPRM1KDM4EMEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL2865790 0.80 NPSR1 (0.39) NPSR1
SCHEMBL2866704 0.80 NPSR1 (0.38) NPSR1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL2861989 0.78 GPR119 (0.41) KDM4EMEN1KMT2ANPSR1MAPT
SCHEMBL2869035 0.76 SMN1; SMN2 (0.43) GAAKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL2865936 0.74 ROCK2 (0.39) HTTMEN1KMT2ALMNANPSR1

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 HTT 3138/4885OPRM1 647/4885OPRL1 214/4885

“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.