SCHEMBL738812

SCHEMBL738812

COc1ccc(N2CCC3(CC2)CNC(=O)CO3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
LRRK2 Q5S007 2/20 0.45
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
DRD4 P21917 2/20 0.43
DRD3 P35462 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
DRD2 P14416 1/20 0.43
AKR1C3 P42330 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL761450 0.85 LRRK2 (0.43) ADRB1LRRK2KMT2AMAPTMEN1
SCHEMBL764288 0.84 LRRK2 (0.44) SIGMAR1LRRK2MAPTSLC6A2SLC6A4
SCHEMBL736895 0.82 HTR3E (0.48) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL11288305 0.80 SIGMAR1 (0.53) SIGMAR1KMT2AMAPTDRD2CYP2D6
SCHEMBL735315 0.79 HRH3 (0.46) LRRK2CYP2D6
SCHEMBL735864 0.79 HRH3 (0.56) SIGMAR1MAPTDRD3DRD2ALDH1A1
SCHEMBL737227 0.78 HRH3 (0.58) MAPTALDH1A1
SCHEMBL735773 0.77 HRH3 (0.45)
SCHEMBL739199 0.77 SIGMAR1 (0.50) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL736356 0.76 HRH3 (0.52) HTR3ASLC6A2SLC6A3

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 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
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.