SCHEMBL69676

SCHEMBL69676

Cn1c2c(c3cc(C(=O)NC4CCN(CC5CCCCC5)CC4)ccc31)CN(Cc1ccc(C(F)(F)F)cc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.51
HDAC10 Q969S8 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
SLC6A5 Q9Y345 9/20 0.45
DRD2 P14416 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
PRKAA2 P54646 1/20 0.43
HTR2A P28223 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL61321 0.92 DRD4 (0.59) DRD4HDAC10HDAC8HDAC6SLC6A5
SCHEMBL61238 0.87 DRD4 (0.53) DRD4HDAC10HDAC8HDAC6SLC6A5
SCHEMBL62031 0.86 SLC6A5 (0.60) DRD4HDAC10HDAC8HDAC6SLC6A5
SCHEMBL62035 0.81 HDAC6 (0.58) DRD4HDAC10HDAC8HDAC6DRD2
SCHEMBL16194509 0.81 HDAC10 (0.45) DRD4HDAC10HDAC8HDAC6SLC6A5
SCHEMBL61298 0.79 HDAC6 (0.58) DRD4HDAC10HDAC8HDAC6DRD2
SCHEMBL61506 0.78 SLC6A5 (0.58) DRD4SLC6A5DRD2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL62830 0.76 SLC6A5 (0.56) DRD4SLC6A5DRD2MEN1KMT2A
SCHEMBL62750 0.74 HDAC1 (0.60) DRD4HDAC6SLC6A5DRD2HDAC1
SCHEMBL91105 0.73 HDAC1 (0.55) DRD4HDAC6SLC6A5DRD2HDAC1

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
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-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
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 2946/4885HDAC10 788/4885HDAC8 503/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 DRD4 2946/4885HDAC10 788/4885HDAC8 503/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 DRD4 2946/4885HDAC10 788/4885HDAC8 503/4885

“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.