SCHEMBL3961810

SCHEMBL3961810

FC(F)(F)c1ccc(C2=NCCc3ccncc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
CYP11B1 P15538 10/20 0.43
CYP11B2 P19099 10/20 0.43
SLC22A12 Q96S37 2/20 0.42
NISCH Q9Y2I1 1/20 0.41
CACNA1B Q00975 1/20 0.38
NPC1 O15118 1/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL3962248 0.89 KIF11 (0.46) KIF11CYP11B1CYP11B2SLC22A12NISCH
SCHEMBL3056563 0.81 NOS3 (0.45) KIF11NISCHALDH1A1LMNA
SCHEMBL3066116 0.77 MAPK10 (0.48) NISCHHDAC1ALDH1A1LMNA
SCHEMBL3960629 0.76 KIF11 (0.38) KIF11CYP11B1CYP11B2NISCH
SCHEMBL28244146 0.75 KIF11 (0.49) KIF11ALDH1A1LMNA
SCHEMBL3073686 0.74 MAPK10 (0.51) CYP11B1CYP11B2NISCHALDH1A1LMNA
SCHEMBL31344191 0.71 NOS2 (0.46) KIF11CYP11B1CYP11B2NISCH
SCHEMBL28307250 0.70 SIGMAR1 (0.41)
SCHEMBL31344192 0.70 CHRM1 (0.40) KIF11CYP11B1CYP11B2NISCHNPC1
SCHEMBL3070384 0.69 NISCH (0.38) KIF11CYP11B1CYP11B2NISCHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009038812-A1 CONDENSED PIPERIDINE DERIVATIVES USEFUL AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2009-03-26 WO disclosed
WO-2009038812-A1 CONDENSED PIPERIDINE DERIVATIVES USEFUL AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2009-03-26 WO disclosed
US-20090082358-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2009-03-26 US disclosed
US-20090082358-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2009-03-26 US disclosed
US-20090082358-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2009-03-26 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-20090082358-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 KIF11 2948/4885CYP11B1 3209/4885CYP11B2 2854/4885

“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.