SCHEMBL5088976

SCHEMBL5088976

CC(C)(C)OC(=O)N1CCC(N2Cc3cc(Br)ccc3NC2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.50
CTSS P25774 1/20 0.45
BRD4 O60885 1/20 0.45
CALCRL Q16602 6/20 0.45
RAMP1 O60894 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CRBN Q96SW2 2/20 0.42
DDB1 Q16531 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FPR3 P25089 1/20 0.42
NAMPT P43490 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
SCHEMBL13884862 0.91 FPR2 (0.49) FPR2CALCRLRAMP1MAPTKDM4E
SCHEMBL2604336 0.85 CALCRL (0.58) CALCRLRAMP1MAPK1NAMPT
SCHEMBL5091149 0.84 GPR119 (0.46) CALCRLRAMP1CRBNDDB1NAMPT
SCHEMBL3657213 0.83 FPR2 (0.52) FPR2MAPTKDM4ETHRBTP53
SCHEMBL30014780 0.83 FPR2 (0.52) FPR2MAPTKDM4ETHRBTP53
SCHEMBL24895522 0.83 MAPT (0.48) FPR2CALCRLRAMP1MAPTKDM4E
SCHEMBL17803177 0.81 BRD4 (0.52) CTSSBRD4CALCRLRAMP1MAPK1
SCHEMBL30167475 0.81 FPR2 (0.47) FPR2CALCRLRAMP1KDM4ECRBN
SCHEMBL3963958 0.80 KDM4E (0.44) FPR2CALCRLRAMP1MAPTKDM4E
SCHEMBL2709205 0.78 FPR2 (0.51) FPR2TP53NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001332-B Piperidine derivatives 豪夫迈·罗氏有限公司 2020-05-15 CN disclosed
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-10-10 US disclosed
EP-3227282-B1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-03 EP disclosed
US-10172843-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-01-08 US disclosed
EP-3227282-A1 NOVEL PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-10-11 EP disclosed
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-09-21 US disclosed
WO-2016087352-A1 NOVEL PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-06-09 WO disclosed
US-7407963-B2 Cyclopropane CGRP antagonists, medicaments containing these compounds, and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-08-05 US disclosed
US-20050267137-A1 Cyclopropane CGRP antagonists, medicaments containing these compounds, and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-12-01 US disclosed
EP-1228059-B1 NOVEL CYCLOPROPANES AS CGRP ANTAGONISTS, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA (DE) 2005-08-03 EP disclosed
US-20030139417-A1 Cyclopropane CGRP antagonists, medicaments containing these compounds, and method for the production thereof BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-24 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 (5 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-20050267137-A1 Cyclopropane CGRP antagonists, medicaments containing these compounds, and method for the production thereof CALCRL, CALCA, CALCR FPR2 293/4885CTSS 768/4885BRD4 3402/4885
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B FPR2 684/4885CTSS 2891/4885BRD4 675/4885
US-20030139417-A1 Cyclopropane CGRP antagonists, medicaments containing these compounds, and method for the production thereof CALCA, CALCRL, CALCB FPR2 268/4885CTSS 889/4885BRD4 3369/4885
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B FPR2 684/4885CTSS 2891/4885BRD4 675/4885
US-10172843-B2 Piperidine derivatives ADRA1D, ADORA1, ADRA1A FPR2 801/4885CTSS 2938/4885BRD4 1014/4885

“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.