SCHEMBL2436022

SCHEMBL2436022

CC(C)(C)N(C(=O)O)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.44
AR P10275 1/20 0.39
FFAR1 O14842 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
KCNH2 Q12809 1/20 0.35
PDE2A O00408 2/20 0.35
MCHR1 Q99705 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
POLQ O75417 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL19179653 0.87 NR1H3 (0.35) KIF11AR
SCHEMBL688212 0.83 CES2 (0.38) AR
SCHEMBL1259292 0.81 ESR1 (0.43) AR
SCHEMBL2496442 0.80 KDR (0.49)
SCHEMBL17257958 0.79 POLB (0.37) ARFFAR1KCNQ3KCNQ2KCNE1
SCHEMBL26621379 0.79 HDAC1 (0.39) ARKCNQ2
SCHEMBL20577786 0.76 KCNQ2 (0.33) ARKCNQ2
SCHEMBL1242691 0.76 IDO1 (0.35) AR
SCHEMBL22664727 0.76 HDAC8 (0.47) ARKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL2497436 0.75 EPHX2 (0.44) KIF11EPHX2

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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO 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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KIF11 4724/4885AR 2399/4885FFAR1 253/4885

“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.