SCHEMBL14945152

SCHEMBL14945152

OC[C@H](OCc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
GSR P00390 1/20 0.49
AOC3 Q16853 1/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
SLC6A4 P31645 1/20 0.45
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 3/20 0.43
TACR1 P25103 2/20 0.41
IDO1 P14902 1/20 0.40
AGXT P21549 1/20 0.39

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
SCHEMBL5418286 1.00 CHRNB2 (0.53) CHRNB2CHRNA4GSRAOC3SLC6A2
SCHEMBL8038066 0.81 GSR (0.55) CHRNB2CHRNA4GSRCYP1A2CYP2C19
SCHEMBL9862388 0.81 GSR (0.53) CHRNB2CHRNA4GSRSLC6A4CYP1A2
SCHEMBL9216785 0.80 CHRNB2 (0.77) CHRNB2CHRNA4AOC3SLC6A2SLC6A3
SCHEMBL16864526 0.80 CHRNB2 (0.53) CHRNB2CHRNA4AOC3SLC6A2SLC6A3
SCHEMBL4466281 0.79 FFAR1 (0.53) CHRNB2CHRNA4SLC1A3SLC1A2SLC1A1
SCHEMBL7487168 0.79 TACR1 (0.49) TACR1IDO1
SCHEMBL7476736 0.79 TACR1 (0.49) TACR1IDO1
SCHEMBL7526436 0.78 CHRNB2 (0.51) CHRNB2CHRNA4AOC3SLC6A2SLC6A3
SCHEMBL28643037 0.78 TACR1 (0.56) CHRNB2CHRNA4AOC3SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200102323-A1 ACC INHIBITORS AND USES THEREOF SCHRÖDINGER, INC. 2020-04-02 US disclosed
US-10472374-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2019-11-12 US disclosed
EP-3329919-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2019-11-06 EP disclosed
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2019-01-17 US disclosed
EP-3329919-A1 ACC INHIBITORS AND USES THEREOF Gilead Apollo, LLC (US) 2018-06-06 EP 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
WO-2013071169-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20200102323-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 CHRNB2 3895/4885CHRNA4 4032/4885GSR 1846/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 CHRNB2 3895/4885CHRNA4 4032/4885GSR 1846/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 CHRNB2 3895/4885CHRNA4 4032/4885GSR 1846/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 CHRNB2 3895/4885CHRNA4 4032/4885GSR 1846/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 CHRNB2 3895/4885CHRNA4 4032/4885GSR 1846/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 CHRNB2 3895/4885CHRNA4 4032/4885GSR 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.