SCHEMBL6145207

SCHEMBL6145207

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.46
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NMT1 P30419 1/20 0.38

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
SCHEMBL5706795 0.90 KCNH2 (0.49) KCNH2MAPTSMN1; SMN2TP53LMNA
SCHEMBL445305 0.89 MAPT (0.40) KCNH2MAPTSMN1; SMN2TP53MEN1
Hydrochloric Acid SCHEMBL6145521 0.89 KCNH2 (0.51) KCNH2MAPTSMN1; SMN2TP53KDM4E
Hydrochloric Acid SCHEMBL6143500 0.89 MAPT (0.39) KCNH2MAPTSMN1; SMN2TP53MEN1
Hydrochloric Acid SCHEMBL6144948 0.89 MAPT (0.39) KCNH2MAPTSMN1; SMN2TP53MEN1
SCHEMBL5792311 0.86 KCNH2 (0.48) KCNH2
SCHEMBL6144453 0.86 ALDH1A1 (0.44) MAPTSMN1; SMN2MEN1POLBKMT2A
Hydrochloric Acid SCHEMBL5185300 0.86 KCNH2 (0.47) KCNH2
SCHEMBL6150702 0.85 MEN1 (0.52) KCNH2MEN1POLBHTTKMT2A
SCHEMBL6147302 0.84 KCNH2 (0.51) KCNH2MEN1POLBHTTKMT2A

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-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 (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-20040147518-A1 Heterocyclylalkylpiperidine derivatives, their preparation and compositions containing them SYNJ1, NCAPD2, SYNJ2 KCNH2 81/4885MAPT 1162/4885SMN1; SMN2 292/4885
US-20020111492-A1 Heterocyclylalkylpiperidine derivatives, their preparation and compositions containing them SYNJ1, NCAPD2, SYNJ2 KCNH2 81/4885MAPT 1162/4885SMN1; SMN2 292/4885

“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.