SCHEMBL6143315

SCHEMBL6143315

COc1ccc2ncc(Cl)c(CCCC3(C(=O)OCc4ccccc4)CCNCC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.38
NMT1 P30419 2/20 0.37
DHODH Q02127 1/20 0.37
NMT2 O60551 1/20 0.37

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 SCHEMBL6148339 0.99 KCNH2 (0.42) KCNH2MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL445305 0.90 MAPT (0.40) KCNH2MAPTSMN1; SMN2TP53ALDH1A1
Hydrochloric Acid SCHEMBL6145521 0.90 KCNH2 (0.51) KCNH2MAPTSMN1; SMN2TP53ALDH1A1
Hydrochloric Acid SCHEMBL6143500 0.89 MAPT (0.39) KCNH2MAPTSMN1; SMN2TP53ALDH1A1
Hydrochloric Acid SCHEMBL6144948 0.89 MAPT (0.39) KCNH2MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL5706815 0.87 KCNH2 (0.40) KCNH2MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL6144885 0.87 KCNH2 (0.52) KCNH2MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7101341 0.85 MAPT (0.43) KCNH2MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL6145924 0.85 MEN1 (0.46) KCNH2MAPTALDH1A1MEN1KMT2A
SCHEMBL6147587 0.85 SLC2A1 (0.48) KCNH2SMN1; SMN2ALDH1A1KDM4ELMNA

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.