SCHEMBL737636

SCHEMBL737636

O=C1NCC2(CCN(c3ccc(O)cc3)CC2)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
CHRM2 P08172 1/20 0.49
ADRA2A P08913 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
DRD1 P21728 1/20 0.49
MAPT P10636 3/20 0.48
KMT2A Q03164 1/20 0.48
EED O75530 1/20 0.43
CYP11B2 P19099 1/20 0.42
HDAC1 Q13547 3/20 0.42
CDK8 P49336 5/20 0.41
CDK19 Q9BWU1 5/20 0.41
SMO Q99835 1/20 0.41
CCNC P24863 4/20 0.40
HTR7 P34969 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL760272 0.85 LMNA (0.49) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL6683284 0.85 CYP2D6 (0.62) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL736895 0.82 HTR3E (0.48) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL737561 0.73 HRH3 (0.62) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL736795 0.72 HRH3 (0.46) CYP2D6KCNH2
SCHEMBL519126 0.71
SCHEMBL19226488 0.71 LMNA (0.51) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL15976589 0.71 LMNA (0.51) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL1096010 0.71 LMNA (0.55) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL670308 0.70 LMNA (0.51) LMNACHRM2ADRA2ACYP2D6TSHR

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 8 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-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
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
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 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
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 LMNA 4494/4885CHRM2 10/4885ADRA2A 208/4885

“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.