SCHEMBL764288

SCHEMBL764288

CCCCOc1ccc(N2CCC3(CC2)CNC(=O)CO3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.44
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HIF1A Q16665 1/20 0.41
PABPC1 P11940 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PLA2G2A P14555 4/20 0.40
NPC1 O15118 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
DRD2 P14416 1/20 0.40
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40
ME3 Q16798 1/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL735864 0.87 HRH3 (0.56) MAPTALDH1A1DRD2HTR2AKCNH2
SCHEMBL737227 0.86 HRH3 (0.58) MAPTALDH1A1KCNH2HRH3
SCHEMBL738812 0.84 HTR3E (0.46) LRRK2MAPTALDH1A1TSHRSLC6A2
SCHEMBL737286 0.83 HRH3 (0.52) SLC6A2SLC6A3CHRM2KCNH2HRH3
SCHEMBL736356 0.83 HRH3 (0.52) SLC6A2SLC6A3CHRM2KCNH2HRH3
SCHEMBL735914 0.82 MMP13 (0.45) LRRK2MAPTALDH1A1NPC1SLC6A2
SCHEMBL737576 0.82 HRH3 (0.50) ALDH1A1KCNH2HRH3KDM4ESMN1; SMN2
SCHEMBL761450 0.80 LRRK2 (0.43) LRRK2MAPTALDH1A1HPGDSLC6A2
SCHEMBL735773 0.72 HRH3 (0.45) KCNH2HRH3
SCHEMBL763351 0.72 MAPT (0.40) MAPTALDH1A1HIF1AHPGDTSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1892241-B1 NOVEL PIPERIDINE DERIVATIVE MSD KK (JP) 2016-03-30 EP 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
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 LRRK2 1066/4885MAPT 4377/4885ALDH1A1 1242/4885

“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.