Sugi Predict

Sugi Predict / Compounds / SCHEMBL802970

SCHEMBL802970

SCHEMBL802970

CC1CCCc2ccc(C(=O)C(C)(C)C)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ ACHE P22303 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL803415 0.96 ALDH1A1 (0.38) ALDH1A1HDAC6ALOX5LMNANPC1
SCHEMBL803348 0.91 DRD3 (0.37) ALDH1A1ACHEHDAC6ALOX5PDE4D
SCHEMBL802974 0.91 DRD3 (0.37) ALDH1A1ACHEHDAC6ALOX5PDE4D
SCHEMBL802976 0.91 DRD3 (0.37) ALDH1A1ACHEHDAC6ALOX5PDE4D
SCHEMBL802967 0.88 ALDH1A1 (0.39) ALDH1A1TAS1R3TAS1R1HDAC6ALOX5
SCHEMBL802973 0.84 ALDH1A1 (0.38) ALDH1A1HDAC6ALOX5LMNANPC1
SCHEMBL12620676 0.83 NPC1 (0.46) ALDH1A1ACHETAS1R3TAS1R1NPC1
SCHEMBL8080223 0.83 NPC1 (0.46) ALDH1A1ACHETAS1R3TAS1R1NPC1
SCHEMBL15235463 0.83 ALDH1A1 (0.54) ALDH1A1TAS1R3TAS1R1LMNANPC1
SCHEMBL8075166 0.82 DRD3 (0.46) ALDH1A1ACHETAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — 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 (3 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885ACHE 3999/4885TAS1R3 339/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885ACHE 3999/4885TAS1R3 339/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 ALDH1A1 1267/4885ACHE 746/4885TAS1R3 202/4885

“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.