SCHEMBL3872299

SCHEMBL3872299

CCc1ccc(CC(C)(N)C(=O)O)cc1CC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
CYP1A2 P05177 4/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
BLM P54132 2/20 0.64
KDM4E B2RXH2 2/20 0.64
POLB P06746 2/20 0.64
CYP3A4 P08684 2/20 0.64
MAPT P10636 2/20 0.64
HPGD P15428 2/20 0.64
ALOX15 P16050 2/20 0.64
HSD17B10 Q99714 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
USP2 O75604 1/20 0.64
EGFR P00533 1/20 0.64
FYN P06241 1/20 0.64
GAA P10253 1/20 0.64
APEX1 P27695 1/20 0.64
ADRA1A P35348 1/20 0.64
PTGS2 P35354 1/20 0.64

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
SCHEMBL6340510 0.87 KDM4E (0.74) ALDH1A1CYP1A2MEN1KMT2ABLM
SCHEMBL6340509 0.87 KDM4E (0.74) ALDH1A1CYP1A2MEN1KMT2ABLM
SCHEMBL25846222 0.85 CYP1A2 (0.62) ALDH1A1CYP1A2MEN1KMT2ABLM
SCHEMBL27616817 0.78 SMN1; SMN2 (0.41) ALDH1A1CYP1A2MEN1KMT2ABLM
Methyldopa (Racemic) SCHEMBL196981 0.78 KDM4E (1.00) ALDH1A1CYP1A2MEN1KMT2ABLM
Methyldopa SCHEMBL34003 0.78 KDM4E (1.00) ALDH1A1CYP1A2MEN1KMT2ABLM
Methyldopa SCHEMBL30176814 0.78 KDM4E (1.00) ALDH1A1CYP1A2MEN1KMT2ABLM
SCHEMBL6717507 0.78 ALDH1A1 (0.66) ALDH1A1CYP1A2MEN1KMT2ABLM
SCHEMBL6717500 0.78 ALDH1A1 (0.66) ALDH1A1CYP1A2MEN1KMT2ABLM
Methyldopa SCHEMBL1172822 0.78 KDM4E (1.00) ALDH1A1CYP1A2MEN1KMT2ABLM

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 ALDH1A1 761/4885CYP1A2 1080/4885MEN1 1141/4885
US-20050215546-A1 Novel substituted piperidines, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof P2RX3, P2RX5, P2RX2 ALDH1A1 786/4885CYP1A2 936/4885MEN1 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.