SCHEMBL4679745

SCHEMBL4679745

Cc1ccc(C(=O)N[C@@H](COC(C)(C)C)C(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 1/20 0.50
▸ SORT1 Q99523 1/20 0.50
▸ HPGD P15428 3/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGDS O60760 1/20 0.41
▸ TRPA1 O75762 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ CA2 P00918 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
Hydrochloric Acid SCHEMBL4683422 0.82 HPGD (0.47) GRNSORT1HPGDKMT2ASMN1; SMN2
SCHEMBL4682862 0.78 KMT2A (0.51) HPGDKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL4682422 0.77 GRN (0.43) GRNSORT1RAB9ATDP1
SCHEMBL18127055 0.75 GRN (0.68) GRNSORT1SMN1; SMN2
SCHEMBL27863376 0.74 PPARG (0.50) HPGDKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL607168 0.74 PPARG (0.50) HPGDKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL18803710 0.74 SMN1; SMN2 (0.50) HPGDKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL4684065 0.73 HPGDS (0.65) NPC1RAB9AHPGDSCA12CA1
SCHEMBL4685570 0.73 SMN1; SMN2 (0.57) HPGDKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL6393811 0.73 HPGD (0.44) HPGDKMT2ASMN1; SMN2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 — — EP disclosed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 — — EP disclosed
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 — — EP disclosed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 — — US disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 — — WO disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 — — 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 GRN 4313/4885SORT1 4869/4885HPGD 1616/4885

“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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