SCHEMBL15723846

SCHEMBL15723846

COC1CN(C(=O)c2cc(C(C)C)n(C(C)C)n2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.38
▸ SCD5 Q86SK9 2/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ CCNC P24863 2/20 0.35
▸ CDK8 P49336 2/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ SCD O00767 1/20 0.34
▸ KDM5A P29375 3/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL13466386 0.85 GFER (0.40) RIPK1SCD5NTRK1HRH3CCNC
SCHEMBL13605203 0.79 MALT1 (0.42) HRH3ALDH1A1GAANPC1RAB9A
SCHEMBL15723849 0.77 ALDH1A1 (0.37) RIPK1HRH3CCNCCDK8PDK2
SCHEMBL13605198 0.74 KDM4E (0.39) BRD4ALDH1A1GAAADORA3
SCHEMBL18853875 0.73 ALDH1A1 (0.44) BRD4ALDH1A1GAA
SCHEMBL18853779 0.73 GRIN2B (0.34) RIPK1NTRK1CCNCCDK8SCN9A
SCHEMBL16132138 0.72 NR2E1 (0.48) RIPK1SCD5CCNCCDK8SCN9A
SCHEMBL17067006 0.72 KDM5A (0.61) KDM5A
SCHEMBL15730606 0.70 PDE2A (0.44) RIPK1CCNCCDK8PDK2ALDH1A1
SCHEMBL13466918 0.69 RIPK1 (0.37) RIPK1CCNCCDK8SCN9AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (4 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 RIPK1 2275/4885SCD5 1263/4885NTRK1 4882/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN RIPK1 2275/4885SCD5 1263/4885NTRK1 4882/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN RIPK1 2275/4885SCD5 1263/4885NTRK1 4882/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN RIPK1 2275/4885SCD5 1263/4885NTRK1 4882/4885

“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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