SCHEMBL4862068

SCHEMBL4862068

O=C(CN1CCN(CC(O)COc2ccccc2F)CC1)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.52
CACNA1G O43497 3/20 0.52
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
ABCB1 P08183 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ENPP2 Q13822 1/20 0.47
ATF4 P18848 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL4864319 0.88 MEN1 (0.50) KCNH2CACNA1GMEN1USP2HTT
SCHEMBL4865295 0.88 NPSR1 (0.55) KCNH2MEN1USP2HTTKMT2A
SCHEMBL4866090 0.85 MEN1 (0.49) KCNH2CACNA1GMEN1USP2HTT
SCHEMBL3826732 0.82 TP53 (0.50) MEN1HTTKMT2AL3MBTL1ENPP2
SCHEMBL3832875 0.82 ALDH1A1 (0.50) KCNH2MEN1KMT2AL3MBTL1ENPP2
SCHEMBL4865667 0.81 KCNH2 (0.49) KCNH2CACNA1GMEN1KMT2AABCB1
SCHEMBL4861763 0.81 ABCB1 (0.53) KCNH2MEN1KMT2AABCB1CYP3A4
SCHEMBL4865875 0.80 MEN1 (0.49) KCNH2MEN1USP2HTTKMT2A
SCHEMBL4866603 0.78 MEN1 (0.52) KCNH2MEN1KMT2AL3MBTL1CYP3A4
SCHEMBL4864114 0.78 MEN1 (0.52) KCNH2CACNA1GMEN1KMT2AABCB1

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 KCNH2 19/4885CACNA1G 445/4885MEN1 3200/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A KCNH2 10/4885CACNA1G 413/4885MEN1 2899/4885

“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.