SCHEMBL3433725

SCHEMBL3433725

CC(F)(F)CNC(=O)C1CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
HSD17B10 Q99714 1/20 0.60
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.40
HTT P42858 1/20 0.40
EPHX1 P07099 1/20 0.38
TRPA1 O75762 1/20 0.38
CACNA1G O43497 2/20 0.37
NAAA Q02083 1/20 0.37
TBK1 Q9UHD2 1/20 0.35
PSMB5 P28074 1/20 0.35
EPHX2 P34913 1/20 0.34
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
GLA P06280 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 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
SCHEMBL10202718 0.84 SMN1; SMN2 (0.56) SMN1; SMN2HSD17B10KMT2APOLBHTT
SCHEMBL1521952 0.83 SMN1; SMN2 (0.64) SMN1; SMN2HSD17B10KMT2APOLBHTT
SCHEMBL2585149 0.83 SMN1; SMN2 (0.53) SMN1; SMN2HSD17B10KMT2APOLBEPHX1
Hydrochloric Acid SCHEMBL15826105 0.81 SMN1; SMN2 (0.52) SMN1; SMN2HSD17B10KMT2APOLBEPHX1
SCHEMBL12945101 0.80 SMN1; SMN2 (0.52) SMN1; SMN2HSD17B10KMT2APOLBHTT
SCHEMBL14930612 0.79 SMN1; SMN2 (0.60) SMN1; SMN2HSD17B10KMT2APOLBHTT
SCHEMBL16215620 0.79 SMN1; SMN2 (0.50) SMN1; SMN2HSD17B10KMT2APOLBHTT
SCHEMBL16480146 0.79 SMN1; SMN2 (0.50) SMN1; SMN2HSD17B10KMT2APOLBEPHX1
SCHEMBL15200303 0.79 SMN1; SMN2 (0.50) SMN1; SMN2HSD17B10KMT2APOLBEPHX1
SCHEMBL20781438 0.78 SMN1; SMN2 (0.58) SMN1; SMN2HSD17B10KMT2APOLBHTT

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
EP-2464645-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-07-05 EP disclosed
US-9371329-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-06-21 US disclosed
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-10-09 US disclosed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 US disclosed
WO-2012003392-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-01-05 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-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 SMN1; SMN2 1673/4885HSD17B10 2866/4885KMT2A 3427/4885

“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.