SCHEMBL3231278

SCHEMBL3231278

CN1CCN(Cc2ccccc2-c2ccc(S(=O)(=O)O)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 6/20 0.49
▸ ITGB1 P05556 1/20 0.48
▸ ITGA4 P13612 1/20 0.48
▸ ITGB7 P26010 1/20 0.48
▸ BCL2 P10415 2/20 0.47
▸ BAK1 Q16611 2/20 0.47
▸ HTR6 P50406 8/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL3229206 0.87 HRH3 (0.53) HTR7BCL2BAK1ADORA2AADORA1
SCHEMBL30108234 0.82 HTR7 (0.69) HTR7ITGB1ITGA4ITGB7ADORA2A
SCHEMBL15826880 0.82 HTR7 (0.69) HTR7ITGB1ITGA4ITGB7ADORA2A
SCHEMBL2194377 0.80 HTR7 (0.63) HTR7ITGB1ITGA4ITGB7BCL2
Hydrochloric Acid SCHEMBL9859525 0.79 HTR7 (0.62) HTR7ITGB1ITGA4ITGB7BCL2
SCHEMBL1848899 0.78 NMT1 (0.68) BCL2
SCHEMBL8569622 0.76 KDM4E (0.59) HTR7ITGB1ITGA4ITGB7BCL2
SCHEMBL3236665 0.75 NMT1 (0.63) —
SCHEMBL1111854 0.75 PTGS2 (0.49) HTR7BCL2BAK1
SCHEMBL27749319 0.74 ACHE (0.47) HTR7

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 HTR7 3601/4885ITGB1 4812/4885ITGA4 4864/4885
US-20160060224-A1 N-MYRISTOYL TRANSFERASE INHIBITORS GNMT, NNMT, SPTLC1 HTR7 3601/4885ITGB1 4812/4885ITGA4 4864/4885

“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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