SCHEMBL2115753

SCHEMBL2115753

CC(=O)N1CCN(c2nc3cc(F)ccc3cc2[C@H](C)N)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.39
PIK3CD O00329 1/20 0.39
TP53 P04637 1/20 0.39
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
NCF1 P14598 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL2115701 0.85 NCF1 (0.49) PIK3CDNCF1KDM4EMAPTSMN1; SMN2
SCHEMBL2115704 0.85 NCF1 (0.49) PIK3CDNCF1KDM4EMAPTSMN1; SMN2
SCHEMBL2113484 0.83 NCF1 (0.38) AKT1PIK3CDNCF1GPR6
SCHEMBL2113480 0.83 NCF1 (0.38) AKT1PIK3CDNCF1GPR6
SCHEMBL718044 0.81 GPR6 (0.38) PIK3CDTRPV1GPR6
SCHEMBL715221 0.81 KIT (0.39) AKT1PIK3CDTRPV1GPR6
SCHEMBL2113713 0.80 OPRK1 (0.38) PIK3CDDPP4DPP7NCF1ABCG2
SCHEMBL2113711 0.80 OPRK1 (0.38) PIK3CDDPP4DPP7NCF1ABCG2
SCHEMBL2118042 0.76 KRAS (0.39) TRPV1ABCG2KDM4EGAAMAPT
SCHEMBL2118050 0.76 KRAS (0.39) TRPV1ABCG2KDM4EGAAMAPT

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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA AKT1 290/4885MEN1 3999/4885KMT2A 4018/4885

“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.