SCHEMBL3237444

SCHEMBL3237444

CN1CCN(CCc2cccc(-c3ccc(S(=O)(=O)O)cc3)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 6/20 0.64
▸ SIGMAR1 Q99720 4/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ TMEM97 Q5BJF2 1/20 0.45
▸ AOC3 Q16853 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 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
SCHEMBL3236665 0.88 NMT1 (0.63) NMT1
SCHEMBL16503094 0.79 NMT1 (1.00) NMT1
SCHEMBL3238340 0.78 ACMSD (0.52) NMT1
SCHEMBL3239932 0.76 CYP2D6 (0.55) NMT1SMN1; SMN2CYP2D6HRH3
SCHEMBL3233263 0.75 HSD17B1 (0.56) NMT1AOC3
SCHEMBL3987646 0.75 HRH3 (0.69) SIGMAR1CYP1A2HRH3
SCHEMBL3237375 0.73 AOC3 (0.55) NMT1CYP1A2CYP2D6AOC3HRH3
SCHEMBL5477755 0.73 FAAH (0.57) SIGMAR1SMN1; SMN2KMT2AMEN1
SCHEMBL16497385 0.73 NR1H2 (0.62) —
SCHEMBL3232799 0.73 HRH3 (0.53) NMT1TSHRCYP2D6HRH3

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 NMT1 13/4885SIGMAR1 3390/4885TSHR 4566/4885
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS GNMT, NNMT, SPTLC1 NMT1 13/4885SIGMAR1 3390/4885TSHR 4566/4885

“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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