SCHEMBL6011685

SCHEMBL6011685

Brc1ccc(/C=C/C2CCNCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.51
CYP1A2 P05177 2/20 0.40
KHK P50053 1/20 0.39
KDM1A O60341 1/20 0.36
GPR183 P32249 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP1B1 Q16678 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL23578562 0.86 MAOB (0.58) MAOBCYP1A2GPR183KDM4EALDH1A1
SCHEMBL14329769 0.86 MAOB (0.58) MAOBCYP1A2GPR183KDM4EALDH1A1
SCHEMBL23578563 0.86 MAOB (0.58) MAOBCYP1A2GPR183KDM4EALDH1A1
SCHEMBL30683539 0.81 MAOB (0.51) MAOBKHKKDM1AALDH1A1HPGD
SCHEMBL10069269 0.81 MAOB (0.51) MAOBCYP1A2KHKKDM1AALDH1A1
SCHEMBL5213208 0.81 MAOB (0.51) MAOBKHKMAOA
SCHEMBL6011027 0.81 TYR (0.42) MAOBCYP1A2KHKKDM1AKDM4E
SCHEMBL6011041 0.81 MAOB (0.51) MAOBKHKKDM1AALDH1A1HPGD
SCHEMBL818902 0.81 KDM1A (0.51) MAOBKHKKDM1AALDH1A1MAOA
SCHEMBL20015683 0.81 KDM1A (0.51) MAOBKHKKDM1AALDH1A1MAOA

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
WO-2018055096-A1 DISUBTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES AS INHIBITORS OF MONOAMINE OXIDASE B FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIVERSITY OF LJUBLJANA (SI) 2018-03-29 WO disclosed
EP-1785415-B1 PIPERIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-20080070898-A1 Piperidine Derivative or Pharmaceutically Acceptable Salt Thereof ASTELLAS PHARMA INC. (JP) 2008-03-20 US disclosed
US-20080070898-A1 Piperidine Derivative or Pharmaceutically Acceptable Salt Thereof ASTELLAS PHARMA INC. (JP) 2008-03-20 US disclosed
EP-1785415-A1 PIPERIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2007-05-16 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-20080070898-A1 Piperidine Derivative or Pharmaceutically Acceptable Salt Thereof TRPV1, TRPA1, CACNA1D MAOB 3198/4885CYP1A2 2337/4885KHK 3245/4885

“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.