SCHEMBL779503

SCHEMBL779503

OC1(c2cnc[nH]2)CCCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 9/20 0.46
ADRA2B P18089 9/20 0.46
ADRA2C P18825 9/20 0.46
ADRA1B P35368 9/20 0.46
AKR1B1 P15121 1/20 0.40
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
CYP19A1 P11511 2/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
KDM1A O60341 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
ADORA3 P0DMS8 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
SCHEMBL732031 0.78 KDM1A (0.46) CYP19A1CYP11B1CYP11B2KDM1A
SCHEMBL4133169 0.74 CYP3A4 (0.58) AKR1B1KDM5AKDM4CKDM5BCYP11B1
SCHEMBL18826052 0.74 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL6316631 0.73 PGR (0.47) AKR1B1CYP11B1CYP11B2KDM1AADORA3
SCHEMBL768782 0.71 AKR1B1 (0.40) AKR1B1KDM1AADORA3
SCHEMBL779741 0.71 ADRA1A (0.39) ADRA2AADRA1BAKR1B1CYP11B1CYP11B2
SCHEMBL6412283 0.70 NR3C1 (0.46) AKR1B1KDM1A
SCHEMBL744195 0.69 ADRA2A (0.42) ADRA2AADRA2BADRA2CADRA1B
SCHEMBL779589 0.69 KDM1A (0.38) KDM5AKDM4CKDM5BKDM1AADORA3
SCHEMBL9906167 0.68 KDM1A (0.49) KDM1AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
WO-2007085558-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 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-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES CRY1, PER2, GPR119 ADRA2A 102/4885ADRA2B 134/4885ADRA2C 38/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 ADRA2A 106/4885ADRA2B 125/4885ADRA2C 37/4885

“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.