SCHEMBL14945202

SCHEMBL14945202

OC[C@H](OC1CCC(F)(F)CC1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.40
KCNQ2 O43526 3/20 0.40
GSR P00390 1/20 0.40
BLM P54132 2/20 0.38
CHRM2 P08172 4/20 0.36
CHRM1 P11229 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM3 P20309 2/20 0.36
TSHR P16473 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL14945179 0.85 GSR (0.40) GSRBLMCHRM2CHRM1MEN1
SCHEMBL14945167 0.81 ALDH1A1 (0.40) GSRBLMCHRM2CHRM1MEN1
SCHEMBL14936137 0.81 KDM4E (0.44) GSRBLMCHRM2CHRM1HTR1A
SCHEMBL14936104 0.78 GSR (0.41) GSRBLMCHRM2CHRM1CHRM4
SCHEMBL23969201 0.78 GSR (0.41) GSRBLMCHRM2CHRM1CHRM4
SCHEMBL14945165 0.77 GSR (0.44) GSRBLMCHRM2CHRM1MEN1
SCHEMBL14945251 0.76 GSR (0.40) GSRBLMCHRM2CHRM1CHRM4
SCHEMBL14945247 0.76 GSR (0.40) GSRBLMCHRM2CHRM1CHRM4
SCHEMBL14936382 0.74 GSR (0.44) GSRBLMCHRM2CHRM1MEN1
SCHEMBL10422460 0.73 FFAR1 (0.40) GSRMEN1KMT2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472374-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2019-11-12 US disclosed
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2019-01-17 US disclosed
US-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 US disclosed
US-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 US disclosed
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2016-10-13 US disclosed
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2016-10-13 US disclosed
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2015-07-23 US disclosed
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2015-07-23 US disclosed
US-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 US disclosed
US-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 US disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 US disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 US disclosed
WO-2013071169-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 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 (5 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-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KCNQ3 4555/4885KCNQ2 4466/4885GSR 1846/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 KCNQ3 4555/4885KCNQ2 4466/4885GSR 1846/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KCNQ3 4555/4885KCNQ2 4466/4885GSR 1846/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KCNQ3 4555/4885KCNQ2 4466/4885GSR 1846/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 KCNQ3 4555/4885KCNQ2 4466/4885GSR 1846/4885

“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.