SCHEMBL15723928

SCHEMBL15723928

CC(C)c1ncccc1-c1ccc(OCC2CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.42
▸ KDM1A O60341 4/20 0.41
▸ GPR88 Q9GZN0 1/20 0.40
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ PARP15 Q460N3 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ ACACB O00763 1/20 0.38
▸ ACACA Q13085 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ USP1 O94782 1/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ CTSA P10619 1/20 0.38

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
SCHEMBL15730614 0.83 MKNK1 (0.46) GRM2KDM1AALOX5APFEN1PARP15
SCHEMBL15723943 0.81 NPC1 (0.46) TDP1
SCHEMBL17067048 0.81 DRD2 (0.41) KDM1AALOX5APFEN1PARP15PARP10
SCHEMBL15723947 0.80 HRH3 (0.39) GPR88ALOX5APFEN1FFAR4
SCHEMBL24499201 0.79 RIPK1 (0.46) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL15723893 0.77 CLK4 (0.55) —
SCHEMBL15723929 0.77 CYP2D6 (0.40) USP1FFAR4
SCHEMBL15723911 0.76 MAP4K4 (0.43) ALOX5APFEN1FFAR4
SCHEMBL15723934 0.74 GAA (0.36) ALOX5APFEN1
SCHEMBL22479953 0.74 MCHR1 (0.46) PDE5APDE4APDE4BPDE4CPDE4D

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 11 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-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-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-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
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN GRM2 4719/4885KDM1A 1820/4885GPR88 2646/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN GRM2 4719/4885KDM1A 1820/4885GPR88 2646/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN GRM2 4719/4885KDM1A 1820/4885GPR88 2646/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN GRM2 4719/4885KDM1A 1820/4885GPR88 2646/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN GRM2 4719/4885KDM1A 1820/4885GPR88 2646/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN GRM2 4719/4885KDM1A 1820/4885GPR88 2646/4885

“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.

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