SCHEMBL3478725

SCHEMBL3478725

CC[C@@H]1CCCN1C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 1/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM2 P08172 4/20 0.44
CHRM4 P08173 4/20 0.44
CHRM5 P08912 4/20 0.44
CHRM1 P11229 4/20 0.44
CHRM3 P20309 4/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3489993 1.00 POLB (0.48) POLBL3MBTL1MAPTKMT2AALDH1A1
SCHEMBL10118444 1.00 POLB (0.48) POLBL3MBTL1MAPTKMT2AALDH1A1
SCHEMBL12606498 0.94 KMT2A (0.51) MAPTKMT2AALDH1A1SMN1; SMN2CHRM2
SCHEMBL15731639 0.87
SCHEMBL26220421 0.87
SCHEMBL17835205 0.87
SCHEMBL2706064 0.85 POLB (0.50) POLBL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL13560153 0.84 POLB (0.46) POLBL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL2073337 0.83 L3MBTL1 (0.48) POLBL3MBTL1MAPTKMT2AALDH1A1
SCHEMBL3348343 0.83 L3MBTL1 (0.48) POLBL3MBTL1MAPTKMT2AALDH1A1

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
US-9573958-B2 Benzimidazole derivatives as ITK inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-02-21 US disclosed
US-20150225412-A1 BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS PRINCIPIA BIOPHARMA INC. 2015-08-13 US disclosed
US-20120277255-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-11-01 US disclosed
US-20120184567-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-07-19 US disclosed
US-20120184013-A1 Inhibitors of BMX non-receptor tyrosine kinase PHARMACYCLICS, INC. (US) 2012-07-19 US disclosed
US-20120101113-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-04-26 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 (4 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-20120277255-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 POLB 1891/4885L3MBTL1 492/4885MAPT 3836/4885
US-20150225412-A1 BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS BMX, ITK, BLK POLB 3025/4885L3MBTL1 3046/4885MAPT 3200/4885
US-20120184567-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 POLB 1891/4885L3MBTL1 492/4885MAPT 3836/4885
US-20120101113-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 POLB 1891/4885L3MBTL1 492/4885MAPT 3836/4885

“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.