SCHEMBL2696228

SCHEMBL2696228

CC(C)(C)N1CCC(NC(=O)c2cnc3ccc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 12/20 0.46
▸ PRKAA2 P54646 3/20 0.46
▸ SLC6A5 Q9Y345 2/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ SCN9A Q15858 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
SCHEMBL91106 0.90 HRH3 (0.51) HPGDSPRKAA2HRH3SCN9A
SCHEMBL16194601 0.90 PRKAA2 (0.48) HPGDSPRKAA2SLC6A5HRH3DRD4
SCHEMBL61833 0.89 HDAC4 (0.49) HPGDSPRKAA2SLC6A5
SCHEMBL63038 0.89 HPGDS (0.51) HPGDSPRKAA2HRH3SCN9A
SCHEMBL62194 0.88 DRD4 (0.56) PRKAA2SLC6A5DRD4
SCHEMBL61881 0.86 SLC6A5 (0.58) PRKAA2SLC6A5DRD4
SCHEMBL91109 0.86 DRD4 (0.52) PRKAA2SLC6A5DRD4
SCHEMBL3664140 0.85 HPGDS (0.42) HPGDSPRKAA2SLC6A5HRH3DRD4
SCHEMBL61677 0.83 PRKAA2 (0.57) PRKAA2SLC6A5DRD4
SCHEMBL5020462 0.81 GPR119 (0.50) HPGDSPRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 HPGDS 3138/4885PRKAA2 3/4885SLC6A5 4540/4885

“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.

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