SCHEMBL737027

SCHEMBL737027

CCC(CC)N1CC2(CCN(c3ccc(OCc4ccccc4)cc3)CC2)OCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.42
OPRM1 P35372 2/20 0.42
LMNA P02545 4/20 0.41
MMP13 P45452 1/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
ADAM17 P78536 1/20 0.38
TP53 P04637 1/20 0.38
PTPN11 Q06124 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ACACB O00763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL737024 0.90 SIGMAR1 (0.43) SIGMAR1OPRM1LMNAMMP13MAPT
SCHEMBL737239 0.85 SIGMAR1 (0.44) SIGMAR1OPRM1LMNAMMP13MAPT
SCHEMBL738666 0.85 SIGMAR1 (0.59) SIGMAR1OPRM1LMNAMMP13MAPT
SCHEMBL739096 0.83 SIGMAR1 (0.45) SIGMAR1OPRM1LMNAMMP13MAPT
SCHEMBL738524 0.82 MAPT (0.38) SIGMAR1OPRM1LMNAMAPTKDM4E
SCHEMBL737194 0.82 SIGMAR1 (0.50) SIGMAR1OPRM1LMNAMMP13MAPT
SCHEMBL736984 0.82 SIGMAR1 (0.55) SIGMAR1OPRM1LMNAMMP13MAPT
SCHEMBL737209 0.81 FASN (0.50) SIGMAR1OPRM1LMNAMMP13MAPT
SCHEMBL739140 0.81 MAPT (0.45) SIGMAR1OPRM1LMNAMMP13MAPT
SCHEMBL737590 0.80 SIGMAR1 (0.55) SIGMAR1OPRM1LMNAMMP13NPC1

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-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 SIGMAR1 11/4885OPRM1 15/4885LMNA 4494/4885

“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.