SCHEMBL23501971

SCHEMBL23501971

CC(C)c1ncccc1-c1ccc2c(c1)CC(=O)N2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 7/20 0.60
CACNG8 Q8WXS5 2/20 0.60
CYP1A2 P05177 1/20 0.55
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
PDE3B Q13370 1/20 0.55
PDE3A Q14432 1/20 0.55
BRD4 O60885 2/20 0.50
CREBBP Q92793 1/20 0.50
CRBN Q96SW2 1/20 0.48
PGR P06401 3/20 0.48
KDM5B Q9UGL1 1/20 0.47
BMPR1B O00238 1/20 0.46
BMPR1A P36894 1/20 0.46
TGFBR1 P36897 1/20 0.46
ACVRL1 P37023 1/20 0.46
ACVR1 Q04771 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45

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
SCHEMBL15730139 0.84 GRIA1 (0.67) GRIA1CACNG8CYP1A2CYP11B1CYP11B2
SCHEMBL29899612 0.82 GRIA1 (0.59) GRIA1CACNG8CYP1A2CYP11B1CYP11B2
SCHEMBL23143533 0.82 GRIA1 (0.59) GRIA1CACNG8CYP1A2CYP11B1CYP11B2
SCHEMBL18189605 0.80 GLO1 (0.57) GRIA1CACNG8CYP1A2CYP11B1CYP11B2
SCHEMBL29899628 0.79 GRIA1 (0.51) GRIA1CACNG8CYP1A2CYP11B1CYP11B2
SCHEMBL20052023 0.79 TDP2 (0.46) GRIA1CACNG8CYP1A2CYP11B1CYP11B2
SCHEMBL29849643 0.79 GRIA1 (0.55) GRIA1CACNG8CYP1A2CYP11B1CYP11B2
SCHEMBL14487503 0.79 GRIA1 (0.45) GRIA1CACNG8CYP1A2CYP11B1CYP11B2
SCHEMBL14487497 0.79 GRIA1 (0.45) GRIA1CACNG8CYP1A2CYP11B1CYP11B2
SCHEMBL23502017 0.76 PRKCI (0.50) TGFBR1ACVR1

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 2 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

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-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN GRIA1 2928/4885CACNG8 4093/4885CYP1A2 489/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN GRIA1 2928/4885CACNG8 4093/4885CYP1A2 489/4885

“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.