SCHEMBL62293

SCHEMBL62293

O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]c3c(c2c1)C(OC(=O)C(F)(F)F)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CC3

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.49
SLC6A5 Q9Y345 1/20 0.49
LMNA P02545 2/20 0.47
DRD2 P14416 1/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
SIGMAR1 Q99720 3/20 0.44
TMEM97 Q5BJF2 2/20 0.44
SLC6A12 P48065 2/20 0.44
MCHR1 Q99705 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CHRM4 P08173 1/20 0.43
KCNH2 Q12809 1/20 0.43
SLC6A13 Q9NSD5 1/20 0.43

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
SCHEMBL63391 0.89 PRKAA2 (0.44) DRD4
SCHEMBL62774 0.83 TGM2 (0.44) DRD4SLC6A5LMNAKMT2AMEN1
SCHEMBL61682 0.82 DRD4 (0.53) DRD4SLC6A5LMNADRD2KMT2A
SCHEMBL63295 0.82 PRKAA2 (0.43) DRD4SLC6A5
Trifluoroacetic Acid SCHEMBL62292 0.82 DRD4 (0.51) DRD4SLC6A5LMNADRD2KMT2A
SCHEMBL61826 0.78 DRD4 (0.61) DRD4SLC6A5DRD2KMT2AMEN1
SCHEMBL61960 0.77 DRD4 (0.43) DRD4SLC6A5DRD2KMT2A
SCHEMBL61434 0.76 HDAC1 (0.54) DRD4SLC6A5LMNADRD2ALDH1A1
SCHEMBL62750 0.75 HDAC1 (0.60) DRD4SLC6A5DRD2KMT2AMEN1
SCHEMBL62186 0.74 MAPT (0.54) DRD4SLC6A5LMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231666-B1 Carboxamide, sulfonamide and amine compounds for metabolic disorders RIGEL PHARMACEUTICALS INC (US) 2015-07-29 EP disclosed
US-8895578-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2014-02-13 US disclosed
US-8557822-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2013-10-15 US disclosed
US-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8129390-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-03-06 US disclosed
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-06-25 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-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 DRD4 2946/4885SLC6A5 4540/4885LMNA 2768/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 DRD4 2946/4885SLC6A5 4540/4885LMNA 2768/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 DRD4 2946/4885SLC6A5 4540/4885LMNA 2768/4885

“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.