SCHEMBL698729

SCHEMBL698729

CC(c1ccccc1)c1ncc[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.60
ADRA2B P18089 2/20 0.60
ADRA2C P18825 2/20 0.60
NISCH Q9Y2I1 2/20 0.47
MTOR P42345 1/20 0.47
ADK P55263 1/20 0.47
TAAR1 Q96RJ0 5/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
CHRM2 P08172 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
F2RL1 P55085 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CSNK1A1 P48729 1/20 0.37
TYRO3 Q06418 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
FPR2 P25090 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL28000044 1.00 ADRA2A (0.60) ADRA2AADRA2BADRA2CNISCHMTOR
SCHEMBL30471629 0.90 ADRA2A (0.52) ADRA2AADRA2BADRA2CNISCHMTOR
SCHEMBL698493 0.85 ADRA2A (0.58) ADRA2AADRA2BADRA2CNISCHMTOR
SCHEMBL953558 0.83 ADRA2A (0.48) ADRA2AADRA2BADRA2CNISCHMTOR
SCHEMBL697119 0.83 NISCH (0.52) ADRA2AADRA2BADRA2CNISCHMTOR
SCHEMBL14576492 0.81 ADRA2A (0.47) ADRA2AADRA2BADRA2CNISCHMTOR
SCHEMBL12716698 0.81 ADRA2A (0.53) ADRA2AADRA2BADRA2CNISCHTAAR1
SCHEMBL697579 0.81 ADRA2A (0.53) ADRA2AADRA2BADRA2CNISCHTAAR1
SCHEMBL3526225 0.81 ADRA2A (0.53) ADRA2AADRA2BADRA2CNISCHTAAR1
SCHEMBL29046781 0.81 ADRA2A (0.53) ADRA2AADRA2BADRA2CNISCHMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266989-A2 Dihydropyridine anti-allergic and anti-inflammatory agents Pfizer Limited (GB) 1988-05-11 EP claimed
CN-117321103-A Chloroprene polymer, chloroprene polymer composition, vulcanized molded body, and roll 电化株式会社 2023-12-29 CN disclosed
CN-117321102-A Chloroprene polymer, chloroprene polymer composition, vulcanized molded body, and roll 电化株式会社 2023-12-29 CN disclosed
CN-116323785-A Rubber composition, sulfide, and vulcanized molded article 电化株式会社 2023-06-23 CN disclosed
CN-116323784-A Rubber composition, sulfide, and vulcanized molded article 电化株式会社 2023-06-23 CN disclosed
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP 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
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
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
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
US-7148214-B1 Antihistaminic spiro compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-12 US disclosed
US-7087595-B2 Antihistaminic spiro compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-08 US disclosed
EP-1144411-B1 ANTIHISTAMINIC SPIRO COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2005-04-27 EP disclosed
US-20050026901-A1 Antiallergens; vision disorders JANSSENS FRANS EDUARD (BE) 2005-02-03 US disclosed
EP-1144411-A1 ANTIHISTAMINIC SPIRO COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2001-10-17 EP disclosed
WO-2000037470-A1 ANTIHISTAMINIC SPIRO COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2000-06-29 WO disclosed
US-5624947-A Phenyl derivatives useful as tachykinin antagonists MERCK, SHARP & DOHME LTD. (GB) 1997-04-29 US disclosed
WO-1994014767-A1 PHENYL DERIVATIVES USEFUL AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1994-07-07 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-20050026901-A1 Antiallergens; vision disorders UACA, LTB4R, HLA-B ADRA2A 415/4885ADRA2B 210/4885ADRA2C 888/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2A 456/4885ADRA2B 317/4885ADRA2C 144/4885

“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.