SCHEMBL9717426

SCHEMBL9717426

CN(C(=O)O)c1ccc2[nH]ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 4/20 0.46
SLC6A3 Q01959 3/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
RAD51 Q06609 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PTGS2 P35354 1/20 0.46
MAOA P21397 2/20 0.44
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
CYP2A6 P11509 2/20 0.42
AHR P35869 3/20 0.42
NR4A2 P43354 2/20 0.42
F7 P08709 1/20 0.42
LTA4H P09960 1/20 0.42

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
SCHEMBL14487695 0.87 ENPP2 (0.53) SLC6A2SLC6A4SLC6A3MAOACYP2A6
SCHEMBL3632143 0.83 USP2 (0.48) SLC6A2SLC6A4SLC6A3USP2GAA
SCHEMBL28166707 0.80 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3USP2GAA
SCHEMBL8531102 0.80 NPC1 (0.43) SLC6A2SLC6A4SLC6A3USP2GAA
SCHEMBL15253052 0.80 MAOA (0.51) SLC6A2SLC6A4SLC6A3USP2GAA
SCHEMBL3612090 0.80 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3USP2GAA
SCHEMBL23028622 0.79 MAOA (0.45) SLC6A2SLC6A4SLC6A3USP2GAA
SCHEMBL3335239 0.78 AHR (0.50) SLC6A2SLC6A4SLC6A3USP2GAA
SCHEMBL16881551 0.78 KDM4E (0.52) SLC6A2SLC6A4SLC6A3MAOANPC1
SCHEMBL22418878 0.78 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3USP2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
EP-2729448-A1 COMPOUNDS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2014-05-14 EP disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 WO disclosed
WO-1992000737-A1 COMPOSITION FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND PROCESS FOR PREPARING THE SAME BIOREX KUTATÓ-FEJLESZTO^' KFT. (HU) 1992-01-23 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 (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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN SLC6A2 521/4885SLC6A4 1960/4885SLC6A3 920/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN SLC6A2 521/4885SLC6A4 1960/4885SLC6A3 920/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN SLC6A2 521/4885SLC6A4 1960/4885SLC6A3 920/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN SLC6A2 521/4885SLC6A4 1960/4885SLC6A3 920/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN SLC6A2 521/4885SLC6A4 1960/4885SLC6A3 920/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN SLC6A2 521/4885SLC6A4 1960/4885SLC6A3 920/4885

“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.