SCHEMBL61867

SCHEMBL61867

O=Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.81
DRD2 P14416 3/20 0.81
TMEM97 Q5BJF2 3/20 0.74
SIGMAR1 Q99720 2/20 0.74
SLC6A12 P48065 2/20 0.74
MCHR1 Q99705 1/20 0.74
CYP1A2 P05177 1/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2D6 P10635 1/20 0.74
CYP2C9 P11712 1/20 0.74
TSHR P16473 1/20 0.74
MAPK1 P28482 1/20 0.74
CYP2C19 P33261 1/20 0.74
KMT2A Q03164 2/20 0.71
KCNH2 Q12809 1/20 0.71
MEN1 O00255 1/20 0.71
SLC6A13 Q9NSD5 1/20 0.67
LMNA P02545 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
PRKAB2 O43741 1/20 0.66

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
SCHEMBL8712702 0.90 DRD2 (1.00) DRD4DRD2
SCHEMBL61848 0.89 TMEM97 (0.83) DRD4DRD2TMEM97SIGMAR1SLC6A12
SCHEMBL694949 0.88 SIGMAR1 (0.82) DRD4DRD2TMEM97SIGMAR1SLC6A12
SCHEMBL7218186 0.86 DRD4 (0.86) DRD4DRD2TMEM97SIGMAR1SLC6A12
SCHEMBL2233466 0.86 KCNH2 (0.80) DRD4DRD2TMEM97SIGMAR1SLC6A12
SCHEMBL7224869 0.85 SIGMAR1 (0.77) DRD4DRD2TMEM97SIGMAR1SLC6A12
SCHEMBL8274001 0.85 MEN1 (0.78) DRD4DRD2TMEM97SIGMAR1SLC6A12
SCHEMBL1425074 0.85 SIGMAR1 (1.00) DRD4DRD2TMEM97SIGMAR1SLC6A12
SCHEMBL2233461 0.85 TMEM97 (0.77) DRD4DRD2TMEM97SIGMAR1SLC6A12
SCHEMBL3366478 0.85 SIGMAR1 (1.00) DRD4DRD2TMEM97SIGMAR1SLC6A12

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 2946/4885DRD2 2100/4885TMEM97 2354/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 DRD4 2946/4885DRD2 2100/4885TMEM97 2354/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 DRD4 2946/4885DRD2 2100/4885TMEM97 2354/4885

“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.