SCHEMBL737578

SCHEMBL737578

COc1ccc(N2CC3(CCN(c4ccc(OCCCN5CCCCC5)cc4)CC3)OCC2=O)cn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.47
KCNH2 Q12809 1/20 0.47
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
HTR3A P46098 3/20 0.42
HRH1 P35367 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HTR1A P08908 1/20 0.41
MAPK14 Q16539 1/20 0.40
OPRM1 P35372 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ACHE P22303 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL736875 0.99 HRH3 (0.46) HRH3KCNH2MAPTPOLBHTR3A
SCHEMBL736512 0.91 HRH3 (0.45) HRH3KCNH2MAPTHTR3AHRH1
SCHEMBL737981 0.91 HRH3 (0.48) HRH3KCNH2MAPTPOLBHTR3A
SCHEMBL735759 0.90 HRH3 (0.44) HRH3KCNH2MAPTHTR3AHRH1
SCHEMBL736587 0.90 HRH3 (0.44) HRH3KCNH2HRH1ALDH1A1
SCHEMBL737105 0.90 HRH3 (0.53) HRH3KCNH2MAPTPOLBHRH1
SCHEMBL736942 0.90 HRH3 (0.45) HRH3KCNH2MAPTHTR3AHRH1
SCHEMBL737958 0.89 HRH3 (0.51) HRH3KCNH2MAPTPOLBHTR1A
SCHEMBL737035 0.89 HRH3 (0.46) HRH3KCNH2MAPTPOLBHTR3A
SCHEMBL735486 0.89 HRH3 (0.44) HRH3KCNH2MAPTHTR3AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US claimed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US claimed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP claimed
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 HRH3 2/4885KCNH2 308/4885MAPT 4377/4885

“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.