SCHEMBL445305

SCHEMBL445305

CCOC(=O)C1(CCCc2c(Cl)cnc3ccc(OC)cc23)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 2/20 0.39
TP53 P04637 3/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NMT1 P30419 1/20 0.38
KCNH2 Q12809 1/20 0.37
HTT P42858 1/20 0.37
CLK1 P49759 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.36
SLC2A1 P11166 1/20 0.36

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
Hydrochloric Acid SCHEMBL6144948 0.99 MAPT (0.39) MAPTSMN1; SMN2THRBKMT2AMEN1
Hydrochloric Acid SCHEMBL6143500 0.99 MAPT (0.39) MAPTSMN1; SMN2THRBKMT2AMEN1
SCHEMBL6143315 0.90 KCNH2 (0.42) MAPTSMN1; SMN2THRBKMT2AMEN1
SCHEMBL5706815 0.90 KCNH2 (0.40) MAPTSMN1; SMN2THRBTP53ALDH1A1
SCHEMBL6145207 0.89 KCNH2 (0.46) MAPTSMN1; SMN2KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL6148339 0.89 KCNH2 (0.42) MAPTSMN1; SMN2THRBKMT2AMEN1
SCHEMBL6143468 0.85 MEN1 (0.46) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL6143755 0.85 MEN1 (0.52) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL448339 0.83 ALDH1A1 (0.42) SMN1; SMN2KMT2AMEN1POLBALDH1A1
SCHEMBL5706852 0.83 KCNH2 (0.41) MAPTSMN1; SMN2TP53ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481735-A1 Substituted heterocyclic derivatives and compositions and their pharmaceutical use as antibacterials Pfizer Inc. (US) 2012-08-01 EP disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
EP-2155716-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND COMPOSITIONS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS Pfizer Inc. (US) 2010-02-24 EP disclosed
WO-2008139288-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND COMPOSITIONS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS PFIZER INC. (US) 2008-11-20 WO disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 US disclosed
US-6903217-B2 Heterocyclylalkylpiperidine derivatives, their preparation and compositions containing them AVENTIS PHARMA S.A. (FR) 2005-06-07 US disclosed
US-20040147518-A1 Heterocyclylalkylpiperidine derivatives, their preparation and compositions containing them AVENTIS PHARMA S.A. 2004-07-29 US disclosed
US-6603005-B2 Bactericides AVENTIS PHARMA S.A. (FR) 2003-08-05 US disclosed
US-20020111492-A1 Heterocyclylalkylpiperidine derivatives, their preparation and compositions containing them NOVEXEL (FR) 2002-08-15 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-20040147518-A1 Heterocyclylalkylpiperidine derivatives, their preparation and compositions containing them SYNJ1, NCAPD2, SYNJ2 MAPT 1162/4885SMN1; SMN2 292/4885THRB 4277/4885
US-20020111492-A1 Heterocyclylalkylpiperidine derivatives, their preparation and compositions containing them SYNJ1, NCAPD2, SYNJ2 MAPT 1162/4885SMN1; SMN2 292/4885THRB 4277/4885
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 MAPT 4323/4885SMN1; SMN2 4085/4885THRB 4050/4885
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 MAPT 4323/4885SMN1; SMN2 4085/4885THRB 4050/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 MAPT 4323/4885SMN1; SMN2 4085/4885THRB 4050/4885

“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.