SCHEMBL735795

SCHEMBL735795

COc1cccc(C2(OC(=O)C(F)(F)F)CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
KMT2A Q03164 2/20 0.52
HRH3 Q9Y5N1 10/20 0.49
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
KCNH2 Q12809 2/20 0.47
SLC6A4 P31645 1/20 0.44
AVPR1B P47901 1/20 0.43
MET P08581 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL737444 0.91 MAPT (0.55) ALDH1A1KDM4EKMT2AHRH3MAPT
Trifluoroacetic Acid SCHEMBL735794 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2AHRH3MAPT
SCHEMBL738382 0.84 HRH3 (0.53) ALDH1A1KMT2AHRH3MAPTKCNH2
SCHEMBL736505 0.84 HRH3 (0.48) ALDH1A1HRH3MAPTKCNH2MET
Trifluoroacetic Acid SCHEMBL737443 0.78 HRH3 (0.60) ALDH1A1KDM4EKMT2AHRH3MAPT
Trifluoroacetic Acid SCHEMBL736519 0.77 HRH3 (0.55) ALDH1A1KDM4EHRH3MAPTPOLB
Trifluoroacetic Acid SCHEMBL735635 0.77 HRH3 (0.57) ALDH1A1KDM4EHRH3MAPTPOLB
Trifluoroacetic Acid SCHEMBL737476 0.75 HRH3 (0.55) ALDH1A1KDM4EKMT2AHRH3MAPT
Trifluoroacetic Acid SCHEMBL737095 0.75 HRH3 (0.55) ALDH1A1KDM4EKMT2AHRH3MAPT
SCHEMBL13437995 0.74 DRD2 (0.69) ALDH1A1KDM4EKMT2AHRH3MAPT

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 ALDH1A1 1242/4885KDM4E 1039/4885KMT2A 825/4885

“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.