SCHEMBL15730606

SCHEMBL15730606

COC1CN(C(=O)c2cc(C(C)C)nn2C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CCNC P24863 4/20 0.38
▸ CDK8 P49336 4/20 0.38
▸ RIPK1 Q13546 1/20 0.37
▸ CDK19 Q9BWU1 1/20 0.36
▸ ADORA2A P29274 3/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GLRA1 P23415 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 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
SCHEMBL15723849 0.85 ALDH1A1 (0.37) PDE2ACCNCCDK8RIPK1CDK19
SCHEMBL13466386 0.77 GFER (0.40) SMN1; SMN2CCNCCDK8RIPK1CDK19
SCHEMBL14926281 0.74 PDE2A (0.49) PDE2ASMN1; SMN2ALDH1A1GAA
SCHEMBL14484511 0.74 KDM5A (0.39) CCNCCDK8RIPK1ADORA2AADORA3
SCHEMBL20113280 0.72 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1GAAMEN1KMT2A
SCHEMBL16132138 0.71 NR2E1 (0.48) PDE2ASMN1; SMN2CCNCCDK8RIPK1
SCHEMBL1807856 0.71 MEN1 (0.45) MEN1KMT2A
SCHEMBL15723846 0.70 RIPK1 (0.38) CCNCCDK8RIPK1CDK19ADORA2A
SCHEMBL316007 0.70 ALDH1A1 (0.57) PDE2AALDH1A1GAA
SCHEMBL20108979 0.70 ALDH1A1 (0.45) PDE2ASMN1; SMN2ALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PDE2A 2764/4885SMN1; SMN2 3500/4885CCNC 2814/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PDE2A 2764/4885SMN1; SMN2 3500/4885CCNC 2814/4885

“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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