SCHEMBL3264662

SCHEMBL3264662

CC(C)Oc1cc(CN2CCN(C)CC2)cc(-c2ccc(S(=O)(=O)O)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ NMT1 P30419 4/20 0.44
▸ CHKA P35790 6/20 0.41
▸ HTR6 P50406 4/20 0.41
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ PTGDR Q13258 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ DRD3 P35462 1/20 0.37

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
SCHEMBL3237332 0.83 NPC1 (0.46) ALDH1A1NMT1CHKAFAAH
SCHEMBL1868795 0.81 NMT1 (0.70) NMT1
SCHEMBL3236665 0.77 NMT1 (0.63) NMT1CHKAFAAH
SCHEMBL18904159 0.72 NMT1 (0.48) ALDH1A1NMT1CHKA
SCHEMBL3232564 0.71 ALDH1A3 (0.44) FFAR4PTGDRCA2
SCHEMBL3237444 0.69 NMT1 (0.64) NMT1CYP2D6
SCHEMBL21650995 0.68 CHKA (0.58) ALDH1A1CHKACA2
SCHEMBL11154024 0.67 KMT2A (0.52) ALDH1A1FFAR4CA2
SCHEMBL30963887 0.67 CHRM3 (0.49) ALDH1A1
SCHEMBL3231278 0.66 HTR7 (0.49) HTR6CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828346-B2 N-myristoyl transferase inhibitors UNIVERSITY OF DUNDEE (GB) 2017-11-28 — — US disclosed
EP-2980076-B1 Pyrazolyl derivatives UNIV DUNDEE (GB) 2017-05-31 — — EP disclosed
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS UNIVERSITY OF DUNDEE (GB) 2016-03-03 — — US disclosed
EP-2980076-A1 PYRAZOLYL DERIVATIVES University of Dundee (GB) 2016-02-03 — — EP disclosed
US-9156811-B2 N-myristoyl transferase inhibitors Univeristy of Dundee (GB) 2015-10-13 — — US disclosed
EP-2323987-B1 N-MYRISTOYL TRANSFERASE INHIBITORS UNIV DUNDEE (GB) 2015-06-24 — — EP disclosed
US-20110312921-A1 N-Myristoyl Transferase Inhibitors DUNDEE, UNIVERSITY OF (GB) 2011-12-22 — — US disclosed
WO-2010026365-A1 N-MYRISTOYL TRANSFERASE INHIBITORS UNIVERSITY OF DUNDEE (GB) 2010-03-11 — — 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 (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-20110312921-A1 N-Myristoyl Transferase Inhibitors GNMT, NNMT, SPTLC1 ALDH1A1 4530/4885NMT1 13/4885CHKA 1398/4885
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS GNMT, NNMT, SPTLC1 ALDH1A1 4530/4885NMT1 13/4885CHKA 1398/4885

“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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