SCHEMBL3877281

SCHEMBL3877281

CCC(N)(Cc1ccc(Br)c(Br)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
BLM P54132 2/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
USP2 O75604 1/20 0.42
EGFR P00533 1/20 0.42
FYN P06241 1/20 0.42
GAA P10253 1/20 0.42
APEX1 P27695 1/20 0.42
ADRA1A P35348 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL15922126 0.82 BLM (0.45) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL27762142 0.79 HSD17B10 (0.67) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL2164203 0.79 PTPRC (0.37) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL2164197 0.79 PTPRC (0.37) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL27880060 0.77 BLM (0.46) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL5329866 0.77 BLM (0.64) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL10935109 0.77 BLM (0.64) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL5329860 0.77 BLM (0.64) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL14743437 0.76 SMN1; SMN2 (0.60) CYP1A2ALDH1A1MEN1KMT2ABLM
SCHEMBL9457635 0.76 SMN1; SMN2 (0.60) CYP1A2ALDH1A1MEN1KMT2ABLM

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
US-7538115-B2 Substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-05-26 US disclosed
US-7026312-B2 Substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-04-11 US disclosed
US-20050215546-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-09-29 US disclosed
US-20030236282-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2003-12-25 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 (2 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-20030236282-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof P2RX5, CALCRL, ADRA1D CYP1A2 1080/4885ALDH1A1 761/4885MEN1 1141/4885
US-20050215546-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof P2RX3, P2RX5, P2RX2 CYP1A2 936/4885ALDH1A1 786/4885MEN1 1200/4885

“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.