Sugi Predict

Sugi Predict / Compounds / SCHEMBL6044546

SCHEMBL6044546

SCHEMBL6044546

CC(C)[C@@H](CBr)CC(OC(C[C@H](CBr)C(C)C)c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.36
▸ TRPA1 O75762 4/20 0.34
▸ AOC3 Q16853 2/20 0.34
▸ SLC6A4 P31645 2/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ CACNA1D Q01668 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KCNH2 Q12809 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
SCHEMBL7450493 0.77 TAAR1 (0.41) TAAR1TRPA1AOC3SLC6A4ADRA2A
SCHEMBL9174451 0.76 HTR2A (0.39) TAAR1TRPA1SLC6A4HRH1ALDH1A1
SCHEMBL8986601 0.73 LMNA (0.47) TAAR1TRPA1AOC3ADRA2AADRA2C
SCHEMBL28653431 0.73 TAAR1 (0.39) TAAR1TRPA1AOC3SLC6A4LMNA
SCHEMBL9251514 0.70 KDM4E (0.41) TAAR1TRPA1AOC3SLC6A4ADRA2A
SCHEMBL12525111 0.69 TAAR1 (0.39) TAAR1TRPA1AOC3SLC6A4LMNA
SCHEMBL10757850 0.69 SLC6A4 (0.38) AOC3SLC6A4LMNACHRM1ADRA2B
SCHEMBL29246789 0.69 TAAR1 (0.35) TAAR1TRPA1SLC6A4ADRA2AADRA2C
SCHEMBL2067077 0.69 SLC6A4 (0.39) TAAR1AOC3SLC6A4LMNAHRH1
SCHEMBL7449480 0.69 POLB (0.44) TAAR1AOC3SLC6A4ADRA2AADRA2C

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-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 — — US disclosed
US-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 — — US disclosed
US-5659065-A CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS NOVARTIS CORPORATION (US) 1997-08-19 — — US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 — — US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 — — US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 — — US disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 — — 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 (1 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-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides BACE1, APP, PSEN1 TAAR1 205/4885TRPA1 2920/4885AOC3 254/4885

“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.