SCHEMBL62137

SCHEMBL62137

O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2cc(O)ccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.58
BCHE P06276 1/20 0.58
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
SIGMAR1 Q99720 2/20 0.57
ROCK2 O75116 1/20 0.56
ROCK1 Q13464 1/20 0.56
DRD4 P21917 2/20 0.56
SLC6A12 P48065 1/20 0.56
SLC6A13 Q9NSD5 1/20 0.56
RHEB Q15382 1/20 0.56
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
BACE1 P56817 1/20 0.54
KCNH2 Q12809 1/20 0.53

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
SCHEMBL62398 0.81 DRD4 (0.85) ROCK2ROCK1DRD4SLC6A12SLC6A13
SCHEMBL10778977 0.79 ACHE (0.58) ACHEBCHEMAOAMAOBSIGMAR1
SCHEMBL25037863 0.78 SMYD3 (0.64) SIGMAR1DRD4SLC6A12SLC6A13
SCHEMBL27008240 0.78 SLC6A2 (0.73) ACHEBCHEMAOAMAOBDRD4
SCHEMBL650728 0.78 ACHE (0.76) ACHEMAOAMAOBSIGMAR1DRD4
SCHEMBL91086 0.78 MAPT (0.48) ACHEBCHEMAOAMAOBROCK2
SCHEMBL62009 0.76 SLC6A5 (0.54) ACHEBCHEMAOAMAOBSIGMAR1
SCHEMBL31736417 0.76 MCHR1 (0.77) MAOBSIGMAR1DRD4SLC6A12SLC6A13
SCHEMBL12971898 0.75 RHEB (0.56) SIGMAR1DRD4SLC6A12SLC6A13RHEB
SCHEMBL20773510 0.74 SLC6A12 (0.67) ACHESIGMAR1ROCK2ROCK1DRD4

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 9 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
EP-2231666-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2010-09-29 EP disclosed
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-06-25 US disclosed
WO-2009076631-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-06-18 WO 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 ACHE 1975/4885BCHE 1658/4885MAOA 1965/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 ACHE 1975/4885BCHE 1658/4885MAOA 1965/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 ACHE 1975/4885BCHE 1658/4885MAOA 1965/4885

“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.