SCHEMBL735769

SCHEMBL735769

CCN1CC2(CCN(c3ccc(OC)cc3)CC2)OCC1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.46
ALDH1A1 P00352 3/20 0.44
FASN P49327 1/20 0.43
DRD2 P14416 2/20 0.42
GAA P10253 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
DRD4 P21917 2/20 0.39
DRD3 P35462 1/20 0.39
AKR1C3 P42330 1/20 0.39
HTR7 P34969 4/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL735292 0.85 FASN (0.44) ALDH1A1FASNGAASIGMAR1HTR7
SCHEMBL739199 0.84 SIGMAR1 (0.50) HTR1AALDH1A1DRD2HTR3EHTR3B
SCHEMBL737239 0.84 SIGMAR1 (0.44) ALDH1A1SIGMAR1LMNA
SCHEMBL23015938 0.84 SIGMAR1 (0.51) DRD2GAASIGMAR1POLB
SCHEMBL738126 0.81 HRH3 (0.55) HTR1AALDH1A1GAA
SCHEMBL736656 0.81 HRH3 (0.46)
SCHEMBL737490 0.80 SIGMAR1 (0.58) ALDH1A1SIGMAR1
SCHEMBL736525 0.80 HRH3 (0.44)
SCHEMBL737605 0.79 SIGMAR1 (0.46) HTR1AALDH1A1GAAHTR3EHTR3B
SCHEMBL735921 0.78 HRH3 (0.49) HTR3A

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 3 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-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 HTR1A 79/4885ALDH1A1 1242/4885FASN 4745/4885

“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.