SCHEMBL4036177

SCHEMBL4036177

COc1ccccc1CNC(=O)C1(c2ccccc2)CCN(Cc2ccccc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.53
TSHR P16473 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
METAP2 P50579 1/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
KCNH2 Q12809 1/20 0.46
USP2 O75604 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
SCHEMBL2471741 0.84 ALDH1A1 (0.48) CYP2D6KMT2AMEN1ALDH1A1KDM4E
SCHEMBL2856031 0.81 L3MBTL1 (0.62) TSHRKMT2AMEN1
SCHEMBL2470391 0.80 KDM4E (0.54) CYP2D6KMT2AMEN1ALDH1A1KDM4E
SCHEMBL2468360 0.79 GRIN2B (0.48) CYP2D6TSHRKMT2AMEN1ALDH1A1
SCHEMBL2469566 0.79 GRIN2B (0.48) CYP2D6TSHRKMT2AMEN1ALDH1A1
SCHEMBL2468358 0.79 GRIN2B (0.48) CYP2D6TSHRKMT2AMEN1ALDH1A1
SCHEMBL2473431 0.79 TACR1 (0.55) CYP2D6KMT2AMEN1ALDH1A1KCNH2
SCHEMBL2468481 0.78 TSHR (0.57) CYP2D6TSHR
SCHEMBL2470869 0.77 CYP2D6 (0.63) CYP2D6TSHRKMT2AMEN1ALDH1A1
SCHEMBL2469683 0.77 ALDH1A1 (0.58) CYP2D6KMT2AMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 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 (1 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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 CYP2D6 1945/4885TSHR 2555/4885KMT2A 957/4885

“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.