SCHEMBL4866090

SCHEMBL4866090

O=C(CN1CCN(CC(O)COc2ccccc2F)CC1)NCc1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2D6 P10635 2/20 0.48
CYP1A2 P05177 1/20 0.48
HRH1 P35367 1/20 0.47
KCNH2 Q12809 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
SCN5A Q14524 1/20 0.46

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
SCHEMBL4865875 0.92 MEN1 (0.49) MEN1USP2HTTKMT2ACYP2D6
SCHEMBL4862091 0.88 MEN1 (0.49) MEN1USP2HTTKMT2ACYP2D6
SCHEMBL4862068 0.85 KCNH2 (0.52) MEN1USP2HTTKMT2ACYP2D6
SCHEMBL4865295 0.83 NPSR1 (0.55) MEN1USP2HTTKMT2ACYP2D6
SCHEMBL3832509 0.82 EPHX2 (0.50) MEN1KMT2AHRH1KCNH2CYP3A4
SCHEMBL3826683 0.82 L3MBTL1 (0.48) MEN1HTTKMT2ACYP2D6CYP3A4
SCHEMBL4858627 0.82 CYP2D6 (0.48) MEN1USP2KMT2ACYP2D6CYP1A2
SCHEMBL4861739 0.81 CYP2D6 (0.58) MEN1USP2HTTKMT2ACYP2D6
SCHEMBL5221069 0.79 MEN1 (0.49) MEN1USP2HTTKMT2ACYP2D6
SCHEMBL4861763 0.78 ABCB1 (0.53) MEN1KMT2ACYP2D6KCNH2CYP3A4

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-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
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 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-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MEN1 3200/4885USP2 4428/4885HTT 2557/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MEN1 2899/4885USP2 4411/4885HTT 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.