SCHEMBL736895

SCHEMBL736895

COc1ccc(N2CCC3(CC2)CNC(=O)O3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
ADRB1 P08588 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
DRD1 P21728 1/20 0.46
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
HTR1A P08908 2/20 0.44
DCTPP1 Q9H773 1/20 0.44
RAB9A P51151 2/20 0.43
DRD2 P14416 1/20 0.43
EED O75530 1/20 0.43

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) ADRB1LMNACHRM2ADRA2ACYP2D6
SCHEMBL737636 0.82 LMNA (0.49) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL738812 0.82 HTR3E (0.46) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL6683284 0.81 CYP2D6 (0.62) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL737588 0.78 HRH3 (0.49)
SCHEMBL737561 0.78 HRH3 (0.62) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL736795 0.76 HRH3 (0.46) CYP2D6
SCHEMBL735868 0.75 HRH3 (0.55) HTR3ACHRM2
SCHEMBL11373948 0.75 KDM4E (0.58) CYP2D6TSHRMAPTKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL11358698 0.74 KDM4E (0.57) CYP2D6TSHRMAPTKMT2AL3MBTL1

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 HTR3E 362/4885HTR3B 134/4885ADRB1 87/4885

“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.