Sugi Predict

Sugi Predict / Compounds / SCHEMBL4865320

SCHEMBL4865320

SCHEMBL4865320

O=C(CCBr)NC1CC2CCC1C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.51
▸ SIGMAR1 Q99720 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ EPHX1 P07099 1/20 0.50
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ TAS1R2 Q8TE23 1/20 0.48
▸ KCNJ6 P48051 1/20 0.44
▸ KCNJ5 P48544 1/20 0.44
▸ KCNJ3 P48549 1/20 0.44
▸ HPGD P15428 2/20 0.44
▸ GRIN2D O15399 2/20 0.42
▸ GRIN3B O60391 2/20 0.42
▸ GRIN1 Q05586 2/20 0.42
▸ GRIN2A Q12879 2/20 0.42
▸ GRIN2B Q13224 2/20 0.42
▸ GRIN2C Q14957 2/20 0.42
▸ GRIN3A Q8TCU5 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ LMNA P02545 2/20 0.42

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
SCHEMBL3458942 0.78 HPGD (0.56) EPHX2SIGMAR1ALDH1A1EPHX1TAS1R3
SCHEMBL8042544 0.78 EPHX2 (0.54) EPHX2SIGMAR1ALDH1A1EPHX1TAS1R3
SCHEMBL4863536 0.78 EPHX2 (0.59) EPHX2SIGMAR1ALDH1A1EPHX1TAS1R3
SCHEMBL3071717 0.77 EPHX2 (0.61) EPHX2SIGMAR1ALDH1A1EPHX1TAS1R3
SCHEMBL3068813 0.77 EPHX1 (0.76) EPHX2SIGMAR1ALDH1A1EPHX1TAS1R3
SCHEMBL3065279 0.76 EPHX2 (0.53) EPHX2SIGMAR1ALDH1A1EPHX1TAS1R3
SCHEMBL4461499 0.75 EPHX2 (0.59) EPHX2SIGMAR1ALDH1A1EPHX1TAS1R3
SCHEMBL26089624 0.75 EPHX2 (0.59) EPHX2SIGMAR1ALDH1A1EPHX1TAS1R3
SCHEMBL15655475 0.75 EPHX2 (0.59) EPHX2SIGMAR1ALDH1A1EPHX1TAS1R3
SCHEMBL15655473 0.75 EPHX2 (0.59) EPHX2SIGMAR1ALDH1A1EPHX1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 — — US disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 — — EP disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 — — US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 — — US disclosed
EP-1567525-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2005-08-31 — — EP disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 — — US disclosed
WO-2004052887-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-06-24 — — WO 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-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A EPHX2 3472/4885SIGMAR1 4281/4885ALDH1A1 245/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A EPHX2 3391/4885SIGMAR1 4373/4885ALDH1A1 281/4885

“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.