SCHEMBL5453401

SCHEMBL5453401

O=C(NC(Cc1ccccc1)C1CCCCC1)c1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.46
PIN1 Q13526 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
DPP4 P27487 1/20 0.44
KCNH2 Q12809 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
MCHR1 Q99705 1/20 0.43
SSTR3 P32745 1/20 0.42
KLKB1 P03952 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CTSL P07711 1/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
S1PR3 Q99500 1/20 0.40

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
SCHEMBL2861620 0.85 CTRB1 (0.51) PIN1ALDH1A1CTSL
SCHEMBL5470915 0.85 DHODH (0.44) ALDH1A1
SCHEMBL5462314 0.84 NPC1 (0.56) ACKR3CTSL
SCHEMBL2861403 0.82 L3MBTL1 (0.49) ACKR3ALDH1A1CTSL
SCHEMBL2853485 0.82 NPC1 (0.51) ALDH1A1S1PR3BACE1
SCHEMBL2857888 0.81 PSMB5 (0.52) ACKR3ALDH1A1CTSL
SCHEMBL2858587 0.79 PSMB5 (0.51) ACKR3ALDH1A1
SCHEMBL2857688 0.79 MEN1 (0.66) ACKR3TAS1R3TAS1R1ALDH1A1CTSL
SCHEMBL2859751 0.79 ACKR3 (0.49) ACKR3PIN1ALDH1A1S1PR3CTSD
SCHEMBL2867569 0.78 MEN1 (0.54) ACKR3MCHR1ALDH1A1CTSDBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 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-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 ACKR3 1451/4885PIN1 3612/4885TAS1R3 2005/4885

“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.