SCHEMBL736599

SCHEMBL736599

O=C1COC2(CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)CN1c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.53
KCNH2 Q12809 8/20 0.53
CYP3A4 P08684 2/20 0.52
HRH1 P35367 4/20 0.51
HTR1A P08908 3/20 0.51
DRD2 P14416 3/20 0.51
HTR2A P28223 3/20 0.51
DRD3 P35462 3/20 0.51
SIGMAR1 Q99720 3/20 0.51
TMEM97 Q5BJF2 2/20 0.51
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
DRD1 P21728 1/20 0.49
DRD5 P21918 1/20 0.49
OPRM1 P35372 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
SCHEMBL737034 0.92 SIGMAR1 (0.57) HRH3KCNH2HRH1HTR1ADRD2
SCHEMBL737105 0.91 HRH3 (0.53) HRH3KCNH2HRH1HTR1ASIGMAR1
SCHEMBL738054 0.91 SIGMAR1 (0.58) HRH3KCNH2HRH1HTR1ADRD2
SCHEMBL737260 0.90 HRH3 (0.48) HRH3KCNH2CYP3A4HRH1HTR1A
SCHEMBL736251 0.90 HRH3 (0.52) HRH3KCNH2HRH1SIGMAR1OPRM1
SCHEMBL737958 0.90 HRH3 (0.51) HRH3KCNH2HTR1ADRD2HTR2A
SCHEMBL738070 0.90 HRH3 (0.48) HRH3KCNH2CYP3A4HRH1HTR1A
SCHEMBL736566 0.89 HRH3 (0.49) HRH3KCNH2CYP3A4HRH1HTR1A
SCHEMBL738105 0.89 HRH3 (0.48) HRH3KCNH2CYP3A4HRH1HTR1A
SCHEMBL736948 0.89 HRH3 (0.49) HRH3KCNH2CYP3A4HRH1HTR1A

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 5 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
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 308/4885CYP3A4 1187/4885

“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.