SCHEMBL4449340

SCHEMBL4449340

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc3ccc(OC4CCN(c5ccc(O)cc5)CC4)cc3o2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.44
HRH3 Q9Y5N1 1/20 0.42
PARP1 P09874 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
USP30 Q70CQ3 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHEK2 O96017 1/20 0.41
HDAC4 P56524 1/20 0.40

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
SCHEMBL4408236 0.94 GPR119 (0.52) GPR119HRH3PARP1ALDH1A1KDM4E
SCHEMBL648600 0.91 HDAC4 (0.46) GPR119HRH3PARP1CA12CA1
SCHEMBL647519 0.91 GPR119 (0.43) GPR119HRH3PARP1CA12CA1
SCHEMBL4405719 0.88 GPR119 (0.52) GPR119HRH3PARP1ALDH1A1KDM4E
SCHEMBL649203 0.86 HDAC4 (0.45) GPR119HRH3PARP1USP30ALDH1A1
SCHEMBL4441153 0.84 RAB9A (0.41) HRH3ALDH1A1KDM4ELMNAMAPT
SCHEMBL4403506 0.83 GPR119 (0.48) GPR119PARP1USP30ALDH1A1KDM4E
SCHEMBL649869 0.82 HDAC4 (0.46) GPR119PARP1USP30HDAC4
SCHEMBL649433 0.82 HDAC4 (0.46) GPR119PARP1USP30HDAC4
SCHEMBL3670654 0.80 CHRM4 (0.44)

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-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 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 (2 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-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 GPR119 709/4885HRH3 2514/4885PARP1 700/4885
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 GPR119 18/4885HRH3 3485/4885PARP1 569/4885

“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.