SCHEMBL761450

SCHEMBL761450

Cc1ccc(N2CCC3(CC2)CNC(=O)CO3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.43
ADRB1 P08588 1/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MAPT P10636 4/20 0.40
ALOX5 P09917 1/20 0.38
AKR1C3 P42330 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR7 P34969 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL738812 0.85 HTR3E (0.46) LRRK2ADRB1DRD2DRD4DRD3
SCHEMBL764288 0.80 LRRK2 (0.44) LRRK2DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL760272 0.80 LMNA (0.49) ADRB1DRD2DRD4DRD3MAPT
SCHEMBL11278758 0.78 LMNA (0.54) DRD2MAPTKMT2A
SCHEMBL10063346 0.76 NEK2 (0.40) LRRK2SLC6A2SLC6A4SLC6A3
SCHEMBL735315 0.75 HRH3 (0.46) LRRK2
SCHEMBL17543949 0.75 ADRB1 (0.50) ADRB1MAPTAKR1C3KDM4EALDH1A1
SCHEMBL11285195 0.75 LMNA (0.41) LRRK2DRD2DRD4DRD3SLC6A2
SCHEMBL735864 0.75 HRH3 (0.56) DRD2DRD3MAPTALDH1A1GAA
SCHEMBL11288334 0.73 DRD2 (0.53) ADRB1DRD2DRD4DRD3SLC6A4

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 2 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

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 LRRK2 1066/4885ADRB1 87/4885DRD2 107/4885

“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.