SCHEMBL736407

SCHEMBL736407

O=C1OC2(CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.58
KCNH2 Q12809 4/20 0.58
HRH1 P35367 3/20 0.50
SIGMAR1 Q99720 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
DRD3 P35462 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
XDH P47989 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL737064 0.82 HRH3 (0.46) HRH3KCNH2HRH1SIGMAR1HTR1A
Trifluoroacetic Acid SCHEMBL737095 0.81 HRH3 (0.55) HRH3KCNH2HRH1ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL737476 0.81 HRH3 (0.55) HRH3KCNH2ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL736529 0.81 HRH3 (0.45) HRH3KCNH2HRH1ALDH1A1
SCHEMBL738460 0.80 HRH3 (0.59) HRH3KCNH2HRH1
Trifluoroacetic Acid SCHEMBL736416 0.79 HRH3 (0.47) HRH3KCNH2HRH1SIGMAR1ALDH1A1
SCHEMBL4940095 0.78 HRH3 (0.56) HRH3KCNH2HRH1SIGMAR1ALDH1A1
SCHEMBL737561 0.78 HRH3 (0.62) HRH3KCNH2HRH1ALDH1A1GAA
Trifluoroacetic Acid SCHEMBL735212 0.77 HRH3 (0.51) HRH3KCNH2ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL737620 0.76 HRH3 (0.44) HRH3KCNH2HRH1SIGMAR1ALDH1A1

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 308/4885HRH1 3/4885

“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.