SCHEMBL779679

SCHEMBL779679

C1=C(c2ncc[nH]2)c2ccccc2CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.43
MTOR P42345 1/20 0.43
ADK P55263 1/20 0.43
CSNK1A1 P48729 1/20 0.41
TYRO3 Q06418 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
F2RL1 P55085 1/20 0.39
ADRA1A P35348 4/20 0.38
IDO1 P14902 1/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1B P35368 1/20 0.35
PDPK1 O15530 1/20 0.34
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
CYP19A1 P11511 3/20 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
SCHEMBL15150123 0.84 NISCH (0.46) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL4642439 0.80 CYP11B2 (0.39) ADRA1AMEN1KMT2AADRA2ACYP19A1
SCHEMBL4640789 0.80 ADRA2A (0.41) ADRA2APARP10PARP11CYP19A1CYP11B2
SCHEMBL6784153 0.71 NISCH (0.37) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL9287236 0.71 NISCH (0.64) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL768730 0.71 NISCH (0.42) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL14969027 0.71 NISCH (0.37) NISCHMTORADKCSNK1A1TYRO3
SCHEMBL4132334 0.70 CYP11B2 (0.56) CYP19A1CYP11B2CYP11B1NPY5R
SCHEMBL2776743 0.70 SMPD3 (0.41) NISCHADRA1AALDH1A1ADRA2AADRA1D
SCHEMBL11190575 0.70 PDPK1 (0.35) PDPK1PARP1PARP10PARP11CYP19A1

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 NISCH 362/4885MTOR 717/4885ADK 344/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 NISCH 362/4885MTOR 779/4885ADK 392/4885

“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.