SCHEMBL768366

SCHEMBL768366

Cc1cc(C)c2c(c1)C(C#N)CCC2

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.57
KDM4C Q9H3R0 1/20 0.37
SIGMAR1 Q99720 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DPP4 P27487 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALOX15 P16050 2/20 0.31
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL23813210 0.85 UGT2B17 (0.41) UGT2B17NPSR1DPP4MAPTALDH1A1
SCHEMBL10754306 0.73 DPP4 (0.33) UGT2B17NPSR1DPP4
SCHEMBL5272877 0.73 UGT2B17 (0.62) UGT2B17KDM4CSIGMAR1TAS1R3TAS1R1
SCHEMBL6799194 0.73 UGT2B17 (1.00) UGT2B17KDM4CSIGMAR1TAS1R3TAS1R1
SCHEMBL703510 0.73 UGT2B17 (0.62) UGT2B17KDM4CSIGMAR1TAS1R3TAS1R1
SCHEMBL30831935 0.73 UGT2B17 (0.62) UGT2B17KDM4CSIGMAR1TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL1976240 0.71 UGT2B17 (0.61) UGT2B17KDM4CSIGMAR1TAS1R3TAS1R1
SCHEMBL768884 0.71 NPSR1 (0.33) NPSR1
SCHEMBL13930560 0.70 IMPDH2 (0.35) IMPDH2IMPDH1
SCHEMBL22222496 0.70 UGT2B17 (0.64) UGT2B17KDM4CSIGMAR1

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
EP-1981499-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP 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
US-4634705-A Adrenergic amidines ABBOTT LABORATORIES (US) 1987-01-06 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 UGT2B17 853/4885KDM4C 2849/4885SIGMAR1 1863/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 UGT2B17 859/4885KDM4C 2744/4885SIGMAR1 1958/4885

“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.