SCHEMBL3460784

SCHEMBL3460784

CN(C)C(=O)[C@H](CCCCN)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
TRPV4 Q9HBA0 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
MMP2 P08253 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MPO P05164 1/20 0.41
SYK P43405 1/20 0.41
CAMK1D Q8IU85 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL3460296 0.86 CA12 (0.46) TP53TRPV4MEN1KMT2ACA12
SCHEMBL964299 0.82 CA12 (0.49) TP53TRPV4MEN1KMT2ACA12
SCHEMBL5037608 0.81 GAA (0.50) TP53TRPV4MEN1KMT2ACA12
SCHEMBL3460295 0.78 SMN1; SMN2 (0.52) TP53TRPV4MEN1KMT2AALDH1A1
SCHEMBL3459274 0.78 TRPV4 (0.44) TP53TRPV4MEN1KMT2ACA12
SCHEMBL3460782 0.77 TP53 (0.53) TP53TRPV4MEN1KMT2AALDH1A1
SCHEMBL968954 0.74 MGLL (0.48) TRPV4MEN1KMT2AALDH1A1MAPT
SCHEMBL4889227 0.74 SMN1; SMN2 (0.51) TP53TRPV4MEN1KMT2AALDH1A1
SCHEMBL4889214 0.74 SMN1; SMN2 (0.51) TP53TRPV4MEN1KMT2AALDH1A1
SCHEMBL966550 0.71 CA12 (0.54) TP53MEN1KMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 EP claimed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 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-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR TP53 1327/4885TRPV4 4160/4885MEN1 4049/4885

“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.