SCHEMBL955060

SCHEMBL955060

CC(C)c1ccc(C(C)C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.41
ERBB2 P04626 1/20 0.40
MGLL Q99685 1/20 0.40
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
HTT P42858 1/20 0.38
IDO1 P14902 2/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2D6 P10635 1/20 0.34
HIF1A Q16665 1/20 0.34
PYCR1 P32322 1/20 0.34
MCL1 Q07820 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
SCHEMBL6565095 0.92 ESR1 (0.43) ERBB2ESR1ESR2ALDH1A1CYP2C9
SCHEMBL909757 0.85 ADRB2 (0.50) ESR1ESR2HTTIDO1ALDH1A1
SCHEMBL4145904 0.85 MEN1 (0.38) ESR1ESR2HTTALDH1A1NPC1
Methane SCHEMBL7623580 0.83 ADRB2 (0.48) ESR1ESR2HTTIDO1ALDH1A1
SCHEMBL958687 0.82 ALDH1A1 (0.44) ESR1ESR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL4160843 0.80 ALOX5 (0.41) ESR1ESR2ALDH1A1HPGDSMN1; SMN2
SCHEMBL450037 0.80 ESR1 (0.61) ESR1ESR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL12263781 0.80 ESR1 (0.36) ESR1ESR2ALDH1A1CYP2C9
SCHEMBL164184 0.80 ALOX5 (0.41) ESR1ESR2ALDH1A1HPGDSMN1; SMN2
SCHEMBL8088810 0.80 LMNA (0.46) ESR1ESR2HTTIDO1ALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists SAINT LOUIS UNIVERSITY (US) 2023-07-25 US disclosed
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
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-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
WO-2000006537-A1 N-SUBSTITUTED SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006176-A1 AMIDOPHOSPHATE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006156-A1 AMIDE, CARBAMATE, AND UREA DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO 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 (5 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 TYR 3199/4885ERBB2 292/4885MGLL 3304/4885
US-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists P2RY14, P2RY4, P2RY13 TYR 2817/4885ERBB2 3346/4885MGLL 1076/4885
US-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 TYR 4440/4885ERBB2 1207/4885MGLL 2001/4885
US-20040097499-A1 Amide, carbamate, and urea derivatives GRIN2A, GLUL, GRIK5 TYR 4015/4885ERBB2 2773/4885MGLL 2903/4885
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B TYR 130/4885ERBB2 1480/4885MGLL 492/4885

“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.