SCHEMBL5877849

SCHEMBL5877849

CC(C)(C)c1ccc(C(C)(C)CN)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.65
▸ TSHR P16473 2/20 0.48
▸ LMNA P02545 1/20 0.46
▸ TYR P14679 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SLC22A2 O15244 1/20 0.41
▸ SLC22A1 O15245 1/20 0.41
▸ SLC22A3 O75751 1/20 0.41
▸ BCHE P06276 5/20 0.41
▸ ACHE P22303 5/20 0.41
▸ TP53 P04637 1/20 0.41
▸ KIF11 P52732 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39

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
SCHEMBL6562809 0.92 TAAR1 (0.75) TAAR1TSHRLMNATYRNPC1
Hydrochloric Acid SCHEMBL6563360 0.89 TAAR1 (0.71) TAAR1TSHRNPC1RAB9AMAPT
SCHEMBL10961852 0.84 TAAR1 (0.65) TAAR1NPC1RAB9AMAPTKIF11
SCHEMBL10574062 0.82 TAAR1 (0.62) TAAR1TSHRALDH1A1NPC1RAB9A
SCHEMBL8350486 0.82 TAAR1 (0.62) TAAR1TSHRNPC1RAB9AMAPT
SCHEMBL12171 0.82 TAAR1 (0.62) TAAR1NPC1RAB9AMAPTKIF11
SCHEMBL7676409 0.80 TAAR1 (0.60) TAAR1ALDH1A1NPC1RAB9AMAPT
SCHEMBL144362 0.80 SHBG (0.61) TAAR1TSHRLMNATYRALDH1A1
SCHEMBL793347 0.80 TAAR1 (0.60) TAAR1TSHRALDH1A1KIF11SLC6A2
Hydrochloric Acid SCHEMBL8508449 0.80 TAAR1 (0.60) TAAR1TSHRNPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135487-B2 such as N-2-(4-Bromophenyl)propyl methanesulfonamide; sulfonamidation of the amine; glutamate receptor potentiators ELI LILLY AND COMPANY (US) 2006-11-14 — — US disclosed
US-20060030599-A1 SULPHONAMIDE DERIVATIVES ARNOLD MACKLIN B 2006-02-09 — — US disclosed
EP-1528055-A2 Sulphonamide Derivatives Eli Lilly & Company (US) 2005-05-04 — — EP disclosed
EP-0860428-B1 Sulphonamide derivatives LILLY CO ELI (US) 2004-12-08 — — EP disclosed
US-20040097499-A1 Amide, carbamate, and urea derivatives ARNOLD MACKLIN BRIAN (US) 2004-05-20 — — US disclosed
US-20040054009-A1 (BIS)sulfonamide derivatives KNOBELSDORF JAMES ALLEN (US) 2004-03-18 — — US disclosed
US-6617351-B1 Amide, carbamate, and urea derivatives ELI LILLY AND COMPANY 2003-09-09 — — US disclosed
US-6596716-B2 2-propane-sulphonamide derivatives ELI LILLY AND COMPANY 2003-07-22 — — US disclosed
US-6525099-B1 Potentiating glutamate receptor function; psychiatric and neurological disorders ELI LILLY AND COMPANY 2003-02-25 — — US disclosed
US-6521605-B1 Potentiating glutamate receptor function; treating such as psychiatric and neurological disorders ELI LILLY AND COMPANY 2003-02-18 — — US disclosed
US-20020002158-A1 Sulphonamide derivatives ARNOLD MACKLIN B (US) 2002-01-03 — — US disclosed
US-6303816-B1 Sulphonamide derivatives ELI LILLY AND COMPANY 2001-10-16 — — US disclosed
CN-1251523-A Sulfonamide derivatives LILLY CO ELI (US) 2000-04-26 — — CN disclosed
EP-0976744-A1 Amide, carbamate, and urea derivatives having glutamate receptor function potentiating activity ELI LILLY AND COMPANY (US) 2000-02-02 — — EP disclosed
EP-0860428-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 1998-08-26 — — EP disclosed
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 — — 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 (4 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-20060030599-A1 SULPHONAMIDE DERIVATIVES GRIN2C, GLRA2, GLRA1 TAAR1 163/4885TSHR 161/4885LMNA 3909/4885
US-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 TAAR1 150/4885TSHR 186/4885LMNA 2852/4885
US-20040054009-A1 (BIS)sulfonamide derivatives GRIN2A, GRIN2B, GABRE TAAR1 119/4885TSHR 475/4885LMNA 4541/4885
US-20040097499-A1 Amide, carbamate, and urea derivatives GRIN2A, GLUL, GRIK5 TAAR1 135/4885TSHR 310/4885LMNA 4726/4885

“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.

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