Sugi Predict

Sugi Predict / Compounds / SCHEMBL803415

SCHEMBL803415

SCHEMBL803415

CC1CCCCc2ccc(C(=O)C(C)(C)C)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ RXRA P19793 2/20 0.35
▸ RXRB P28702 2/20 0.35
▸ RXRG P48443 2/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.35
▸ DHODH Q02127 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ TAOK3 Q9H2K8 1/20 0.33
▸ NFKB1 P19838 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
SCHEMBL802970 0.96 ALDH1A1 (0.39) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL803348 0.90 DRD3 (0.37) ALDH1A1HDAC6ALOX5PDE4DDRD3
SCHEMBL802976 0.90 DRD3 (0.37) ALDH1A1HDAC6ALOX5PDE4DDRD3
SCHEMBL802974 0.90 DRD3 (0.37) ALDH1A1HDAC6ALOX5PDE4DDRD3
SCHEMBL802973 0.89 ALDH1A1 (0.38) ALDH1A1NPC1RAB9ASMYD3DHODH
SCHEMBL802967 0.84 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ASMYD3DHODH
SCHEMBL14996518 0.80 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8080223 0.79 NPC1 (0.46) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL15235463 0.79 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ARXRARXRB
SCHEMBL12620676 0.79 NPC1 (0.46) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2

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 2086/4885NPC1 1121/4885RAB9A 678/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885NPC1 1121/4885RAB9A 678/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 ALDH1A1 1267/4885NPC1 2033/4885RAB9A 1673/4885

“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.