SCHEMBL736683

SCHEMBL736683

CC(C)N1CC2(CCN(c3ccc(O)cc3)CC2)OCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
PKM P14618 1/20 0.44
SIGMAR1 Q99720 6/20 0.36
OPRM1 P35372 4/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR7 P34969 4/20 0.35
FASN P49327 1/20 0.35
KCNH2 Q12809 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL738524 0.87 MAPT (0.38) MAPTKDM4EALDH1A1PKMSIGMAR1
SCHEMBL735677 0.83 SIGMAR1 (0.52) MAPTKDM4EALDH1A1PKMSIGMAR1
SCHEMBL737024 0.81 SIGMAR1 (0.43) MAPTKDM4EALDH1A1SIGMAR1OPRM1
SCHEMBL735292 0.80 FASN (0.44) MAPTKDM4EALDH1A1PKMSIGMAR1
SCHEMBL738435 0.79 FASN (0.53) MAPTKDM4EALDH1A1PKMSIGMAR1
SCHEMBL737224 0.78 SIGMAR1 (0.40) MAPTKDM4EALDH1A1PKMSIGMAR1
SCHEMBL735357 0.78 SIGMAR1 (0.61) ALDH1A1SIGMAR1OPRM1LMNAGAA
SCHEMBL736591 0.77 SIGMAR1 (0.48) MAPTKDM4EALDH1A1SIGMAR1OPRM1
SCHEMBL737605 0.76 SIGMAR1 (0.46) MAPTKDM4EALDH1A1SIGMAR1OPRM1
SCHEMBL738663 0.76 FASN (0.51) MAPTALDH1A1SIGMAR1OPRM1GAA

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 MAPT 4377/4885KDM4E 1039/4885ALDH1A1 1242/4885

“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.