SCHEMBL1765151

SCHEMBL1765151

Fc1ccc(F)c(C2CCNCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.55
SLC6A4 P31645 13/20 0.55
SLC6A3 Q01959 13/20 0.55
HTR1A P08908 8/20 0.55
KDM1A O60341 2/20 0.47
KDM1B Q8NB78 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR6 P50406 2/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45

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
Hydrochloric Acid SCHEMBL6075890 0.98 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3HTR1AKDM1A
SCHEMBL27913713 0.89 CHRNB2 (0.51) SLC6A2SLC6A4SLC6A3HTR1AKDM1A
SCHEMBL19995723 0.89 CHRNB2 (0.51) SLC6A2SLC6A4SLC6A3HTR1AKDM1A
SCHEMBL15566855 0.86 KDM1A (0.55) SLC6A2SLC6A4SLC6A3HTR1AKDM1A
SCHEMBL30232333 0.85 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3HTR1ACHRNB2
SCHEMBL187795 0.85 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3HTR1ACHRNB2
Hydrochloric Acid SCHEMBL2801750 0.83 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL11773147 0.82 KDM1A (0.52) KDM1AKDM1BCHRNB2CHRNB4CHRNA3
SCHEMBL28247579 0.82 KDM1A (0.52) KDM1AKDM1BCHRNB2CHRNB4CHRNA3
SCHEMBL3543969 0.81 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3HTR1ACHRNB2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102753538-B Sultam derivatives HOFFMANN LA ROCHE 2015-04-08 CN disclosed
EP-2504324-B1 SULTAM DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-02-25 EP disclosed
US-8314250-B2 Sultam derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-20 US disclosed
EP-2504324-A1 SULTAM DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-03 EP disclosed
WO-2011064141-A1 SULTAM DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-03 WO disclosed
US-20110124686-A1 SULTAM DERIVATIVES ANDERSON KEVIN W 2011-05-26 US disclosed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
EP-1912989-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-23 EP disclosed
WO-2007018998-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
WO-2007018998-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 US disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 US disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 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 (3 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-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators GRM2, GRM1, GRIN2B SLC6A2 143/4885SLC6A4 115/4885SLC6A3 122/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B SLC6A2 143/4885SLC6A4 115/4885SLC6A3 122/4885
US-20110124686-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, SULT1E1 SLC6A2 953/4885SLC6A4 444/4885SLC6A3 527/4885

“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.