SCHEMBL779687

SCHEMBL779687

Cn1ccnc1C1(O)CCCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
SIGMAR1 Q99720 7/20 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
CNR2 P34972 1/20 0.35
LMNA P02545 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
SCHEMBL779589 0.73 KDM1A (0.38) KDM1ASIGMAR1EBPMAPK1SMN1; SMN2
SCHEMBL4133169 0.72 CYP3A4 (0.58) KDM1ASIGMAR1PGR
SCHEMBL6316631 0.71 PGR (0.47) KDM1ASIGMAR1MAPK1PGR
SCHEMBL779741 0.69 ADRA1A (0.39) KDM1ASIGMAR1
SCHEMBL768782 0.69 AKR1B1 (0.40) KDM1ASIGMAR1EBP
SCHEMBL9906167 0.66 KDM1A (0.49) KDM1ASIGMAR1PGR
SCHEMBL7321561 0.66 SIGMAR1 (0.51) KDM1ASIGMAR1
SCHEMBL13599735 0.66 PGR (0.49) KDM1APGRLMNA
SCHEMBL29617949 0.66 KDM1A (0.56) KDM1ASIGMAR1EBPMAPK1SMN1; SMN2
SCHEMBL6689565 0.66 KDM1A (0.56) KDM1ASIGMAR1EBPMAPK1SMN1; SMN2

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.