SCHEMBL779589

SCHEMBL779589

Cn1cncc1C1(O)CCCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
SIGMAR1 Q99720 6/20 0.38
EBP Q15125 1/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PGR P06401 1/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL779687 0.73 KDM1A (0.38) KDM1ASIGMAR1EBPMAPK1SMN1; SMN2
SCHEMBL4133169 0.72 CYP3A4 (0.58) KDM1ASIGMAR1PGRKDM5AKDM4C
SCHEMBL6316631 0.71 PGR (0.47) KDM1ASIGMAR1MAPK1PGRADORA3
SCHEMBL779503 0.69 ADRA2A (0.46) KDM1AKDM5AKDM4CKDM5BADORA3
SCHEMBL768782 0.67 AKR1B1 (0.40) KDM1ASIGMAR1EBPADORA3
SCHEMBL9906167 0.66 KDM1A (0.49) KDM1ASIGMAR1PGRADORA3
SCHEMBL7321561 0.66 SIGMAR1 (0.51) KDM1ASIGMAR1
SCHEMBL6689565 0.66 KDM1A (0.56) KDM1ASIGMAR1EBPMAPK1SMN1; SMN2
SCHEMBL29617949 0.66 KDM1A (0.56) KDM1ASIGMAR1EBPMAPK1SMN1; SMN2
SCHEMBL4195493 0.65 KDM1A (0.50) KDM1ASIGMAR1MAPK1MEN1KMT2A

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 2 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-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 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 (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 KDM1A 2917/4885SIGMAR1 1863/4885EBP 655/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 KDM1A 2936/4885SIGMAR1 1958/4885EBP 626/4885

“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.