SCHEMBL768782

SCHEMBL768782

OC1(c2c[nH]cn2)CCCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.40
KDM1A O60341 3/20 0.40
ADORA3 P0DMS8 1/20 0.36
SIGMAR1 Q99720 4/20 0.34
EBP Q15125 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
SCHEMBL8865243 0.91 TSHR (0.38) AKR1B1KDM1A
SCHEMBL8865262 0.80 KDM1A (0.47) AKR1B1KDM1ASIGMAR1EBP
SCHEMBL7609559 0.74 KDM1A (0.39) AKR1B1KDM1ASIGMAR1
SCHEMBL6316631 0.73 PGR (0.47) AKR1B1KDM1AADORA3SIGMAR1
SCHEMBL779741 0.71 ADRA1A (0.39) AKR1B1KDM1AADORA3SIGMAR1
SCHEMBL779503 0.71 ADRA2A (0.46) AKR1B1KDM1AADORA3
SCHEMBL4133169 0.71 CYP3A4 (0.58) AKR1B1KDM1AADORA3SIGMAR1
SCHEMBL7107247 0.71 SIGMAR1 (0.34) AKR1B1KDM1ASIGMAR1
SCHEMBL779687 0.69 KDM1A (0.38) KDM1ASIGMAR1EBP
SCHEMBL9906167 0.68 KDM1A (0.49) KDM1AADORA3SIGMAR1

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 AKR1B1 1520/4885KDM1A 2917/4885ADORA3 272/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 AKR1B1 1491/4885KDM1A 2936/4885ADORA3 267/4885

“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.