SCHEMBL15877933

SCHEMBL15877933

COC(=O)[C@@H]1CC[C@H]2CCC(=O)N2C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
BRD4 O60885 1/20 0.46
BTK Q06187 1/20 0.44
GFER P55789 1/20 0.43
MEN1 O00255 1/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL15877830 1.00 KMT2A (0.51) KMT2ANPC1RAB9ABRD4BTK
SCHEMBL15894489 1.00 KMT2A (0.51) KMT2ANPC1RAB9ABRD4BTK
SCHEMBL15894492 0.91 KMT2A (0.52) KMT2ANPC1RAB9ABRD4BTK
SCHEMBL15877677 0.91 KMT2A (0.52) KMT2ANPC1RAB9ABRD4BTK
SCHEMBL15877675 0.91 KMT2A (0.52) KMT2ANPC1RAB9ABRD4BTK
SCHEMBL17184777 0.83 BRD4 (0.62) BRD4POLBGAA
SCHEMBL23236621 0.80 POLB (0.57) KMT2ANPC1RAB9AGFERMEN1
SCHEMBL15877734 0.80 POLB (0.57) KMT2ANPC1RAB9AGFERMEN1
SCHEMBL15878151 0.80 POLB (0.57) KMT2ANPC1RAB9AGFERMEN1
SCHEMBL15878150 0.80 POLB (0.57) KMT2ANPC1RAB9AGFERMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948458-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-05-01 EP disclosed
US-9481682-B2 Substituted benzamides and substituted pyridinecarboxamides as Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
US-20150353570-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
EP-2948458-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-12-02 EP disclosed
WO-2014114185-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
WO-2014113932-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
US-20140206681-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. 2014-07-24 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-20140206681-A1 BTK INHIBITORS BTK, SYK, LYN KMT2A 1175/4885NPC1 2645/4885RAB9A 1837/4885
US-20150353570-A1 BTK INHIBITORS BTK, SYK, LYN KMT2A 1175/4885NPC1 2645/4885RAB9A 1837/4885

“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.