SCHEMBL768875

SCHEMBL768875

COCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
PKM P14618 2/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTR6 P50406 2/20 0.41
AVPR1B P47901 1/20 0.41
FKBP1A P62942 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2C9 P11712 1/20 0.40

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
SCHEMBL779754 0.79 HTR6 (0.49) HTR6ALDH1A1LMNACYP2C9
SCHEMBL6602001 0.74 KMT2A (0.44) RAB9AL3MBTL1GAAMEN1KMT2A
SCHEMBL6600331 0.74 KMT2A (0.44) RAB9AL3MBTL1GAAMEN1KMT2A
SCHEMBL27762723 0.74 HTR6 (0.46) PKMGAAMEN1KMT2AHTR6
SCHEMBL17158242 0.74 KCNN4 (0.50) GAAMEN1KMT2AUSP2ALDH1A1
SCHEMBL768912 0.72 HTR6 (0.40) RAB9AGAAMEN1KMT2AHTR6
SCHEMBL14399667 0.72 HTR6 (0.52) GAAHTR6USP2ALDH1A1LMNA
SCHEMBL13043255 0.72 HTR6 (0.55) GAAHTR6LMNANPSR1CYP2C9
SCHEMBL2513449 0.71 HTR6 (0.48) GAAHTR6USP2ALDH1A1LMNA
SCHEMBL14181120 0.71 HTR6 (0.46) PKMGAAHTR6LMNANPSR1

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 4 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

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 RAB9A 625/4885PKM 654/4885PLA2G1B 4305/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 RAB9A 662/4885PKM 628/4885PLA2G1B 4364/4885

“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.