SCHEMBL4949183

SCHEMBL4949183

Fc1ccc(C2CCNCC2)cc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.57
QDPR P09417 1/20 0.49
SLC18A3 Q16572 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTR2A P28223 1/20 0.43
ADRA2A P08913 1/20 0.42
CHRNB2 P17787 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
PTPN5 P54829 1/20 0.40
SOS1 Q07889 1/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR3A P46098 1/20 0.39

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
SCHEMBL13698265 0.90 HTR2A (0.53) HTR2CHTR2ASLC6A2SLC6A4HTR3A
SCHEMBL28294833 0.88 KDM1A (0.43) HTR2CHTR2AADRA2ACHRNB2ADRA2C
SCHEMBL18161909 0.88 KDM1A (0.43) HTR2CHTR2AADRA2ACHRNB2ADRA2C
SCHEMBL5537443 0.87 HTR2C (0.57) HTR2CQDPRSLC18A3SIGMAR1HTR2A
SCHEMBL3719147 0.86 HTR2C (0.61) HTR2CQDPRSLC18A3SIGMAR1HTR2A
Hydrochloric Acid SCHEMBL4893701 0.85 HTR2C (0.58) HTR2CQDPRSLC18A3SIGMAR1HTR2A
SCHEMBL17102301 0.82 HTR2C (0.56) HTR2CQDPRSLC18A3SIGMAR1HTR2A
SCHEMBL31342813 0.82 HTR2C (0.56) HTR2CQDPRSLC18A3SIGMAR1HTR2A
SCHEMBL2710169 0.82 HTR2C (0.56) HTR2CQDPRSLC18A3SIGMAR1HTR2A
SCHEMBL30228726 0.82 HTR2C (0.56) HTR2CQDPRSLC18A3SIGMAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104024251-B Benzenesulfonamide compounds and their use as therapeutic agents 克赛农制药股份有限公司 2017-08-11 CN 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
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 (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-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators GRM2, GRM1, GRIN2B HTR2C 67/4885QDPR 557/4885SLC18A3 233/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B HTR2C 67/4885QDPR 557/4885SLC18A3 233/4885

“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.