SCHEMBL1095613

SCHEMBL1095613

OC[C@@H]1CCNC[C@H]1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
SLC18A3 Q16572 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
ADRA2A P08913 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48
DRD5 P21918 1/20 0.48
DRD3 P35462 1/20 0.48
KDM1A O60341 8/20 0.47
MAOB P27338 6/20 0.47
CCR5 P51681 1/20 0.47
MAOA P21397 3/20 0.46
CISD1 Q9NZ45 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45

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
SCHEMBL10841194 0.86 SLC18A3 (0.48) MAPTPKMSLC18A3SIGMAR1ADRA2A
SCHEMBL1095996 0.86 SLC18A3 (0.48) MAPTPKMSLC18A3SIGMAR1ADRA2A
SCHEMBL6946523 0.86 SLC18A3 (0.48) MAPTPKMSLC18A3SIGMAR1ADRA2A
SCHEMBL1239835 0.84 CCR5 (0.54) KDM1AMAOBCCR5MAOAHTR2A
SCHEMBL1239832 0.84 CCR5 (0.54) KDM1AMAOBCCR5MAOAHTR2A
SCHEMBL1239831 0.84 CCR5 (0.54) KDM1AMAOBCCR5MAOAHTR2A
SCHEMBL27611853 0.83 GRK2 (0.47) SIGMAR1ADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL28402829 0.83 MAPT (0.52) MAPTPKMSLC18A3SIGMAR1ADRA2A
SCHEMBL27649942 0.79 HTR2C (0.44) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL6438894 0.77 KDM1A (0.54) MAPTPKMSLC18A3SIGMAR1ADRA2A

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-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
EP-2085383-A1 PIPERIDINE DERIVATIVES OR SALTS THEREOF Astellas Pharma Inc. (JP) 2009-08-05 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-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 MAPT 4561/4885PKM 3074/4885SLC18A3 2350/4885

“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.