SCHEMBL4863995

SCHEMBL4863995

O=C(CN1CCN(CC(O)COc2ccccc2F)CC1)Nc1ccc2c(c1)CCC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.63
MAPT P10636 4/20 0.63
HTT P42858 4/20 0.63
KMT2A Q03164 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.55
GAA P10253 3/20 0.54
MAPK1 P28482 2/20 0.54
TP53 P04637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51

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
SCHEMBL4861692 0.89 CYP3A4 (0.65) LMNAMAPTHTTKMT2ASMN1; SMN2
SCHEMBL6771455 0.88 LMNA (0.53) LMNAMAPTHTTKMT2ASMN1; SMN2
SCHEMBL4861049 0.88 LMNA (0.53) LMNAMAPTHTTKMT2ASMN1; SMN2
SCHEMBL3829146 0.83 MAPT (0.64) LMNAMAPTHTTKMT2ASMN1; SMN2
SCHEMBL4866483 0.81 ALDH1A1 (0.56) LMNAMAPTHTTKMT2ASMN1; SMN2
SCHEMBL3831960 0.81 NPC1 (0.63) LMNAMAPTHTTKMT2ASMN1; SMN2
SCHEMBL4865890 0.81 CHRNB2 (0.56) LMNAKMT2AALDH1A1KDM4ECYP3A4
SCHEMBL4857823 0.79 ALDH1A1 (0.55) LMNAHTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4857993 0.78 ALDH1A1 (0.54) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL7292174 0.77 TSHR (0.72) LMNAKMT2ASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 US disclosed
EP-1567525-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2005-08-31 EP disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 US disclosed
WO-2004052887-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-06-24 WO 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-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A LMNA 2835/4885MAPT 4833/4885HTT 2557/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A LMNA 2300/4885MAPT 4829/4885HTT 2259/4885

“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.