SCHEMBL1687961

SCHEMBL1687961

C/C=C/C(=O)N1CCCC(C)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ LMNA P02545 2/20 0.53
▸ POLB P06746 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ RECQL P46063 1/20 0.46
▸ PTGS2 P35354 1/20 0.42
▸ JAK3 P52333 3/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 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
SCHEMBL18331786 1.00 HPGD (0.58) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL17928596 1.00 HPGD (0.58) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL25366205 1.00 HPGD (0.58) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL25366713 0.95 HPGD (0.54) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL23997789 0.89 ALDH1A1 (0.47) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL25365817 0.86 HPGD (0.46) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1687921 0.80 ALDH1A1 (0.54) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL3487800 0.80 ALDH1A1 (0.54) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13498450 0.80 ALDH1A1 (0.54) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL8271067 0.79 ALDH1A1 (0.44) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210363126-A1 PROCESS FOR THE PREPARATION OF PIPERINE CIPLA LIMITED (IN) 2021-11-25 — — US disclosed
EP-2529622-B1 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2018-01-17 — — EP disclosed
US-20170007611-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2017-01-12 — — US disclosed
US-20160361315-A1 IBRUTINIB PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2016-12-15 — — US disclosed
US-9409911-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2016-08-09 — — US disclosed
US-9394312-B1 Ibrutinib prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2016-07-19 — — US disclosed
US-9266893-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2016-02-23 — — US disclosed
US-9212185-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-12-15 — — US disclosed
US-9206189-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-12-08 — — US disclosed
US-9193735-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-11-24 — — US disclosed
US-20120122894-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-05-17 — — US disclosed
US-20120108612-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-05-03 — — US disclosed
US-20120088912-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-04-12 — — US disclosed
US-20110184001-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-07-28 — — US disclosed
US-7960396-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2011-06-14 — — US disclosed
US-20110008257-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-01-13 — — US disclosed
US-20100331350-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-12-30 — — US disclosed
US-20100022561-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-01-28 — — US disclosed
US-7514444-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2009-04-07 — — US disclosed
US-20080108636-A1 compounds that form covalent bonds with Bruton's tyrosine kinase (Btk). Also described are irreversible inhibitors of Btk. Methods for the preparation of the compounds are disclosed. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the Btk inhibitors are told PHARMACYCLICS, INC. (US) 2008-05-08 — — 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 (11 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-20100022561-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN HPGD 2986/4885SMN1; SMN2 4262/4885ALDH1A1 4459/4885
US-20170007611-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN HPGD 2986/4885SMN1; SMN2 4262/4885ALDH1A1 4459/4885
US-20120088912-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN HPGD 2986/4885SMN1; SMN2 4262/4885ALDH1A1 4459/4885
US-20100331350-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN HPGD 2986/4885SMN1; SMN2 4262/4885ALDH1A1 4459/4885
US-20120122894-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN HPGD 2986/4885SMN1; SMN2 4262/4885ALDH1A1 4459/4885
US-20210363126-A1 PROCESS FOR THE PREPARATION OF PIPERINE PTMA, ITPA, PRPH HPGD 1264/4885SMN1; SMN2 648/4885ALDH1A1 407/4885
US-20110008257-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN HPGD 2986/4885SMN1; SMN2 4262/4885ALDH1A1 4459/4885
US-20110184001-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN HPGD 2986/4885SMN1; SMN2 4262/4885ALDH1A1 4459/4885
US-20080108636-A1 compounds that form covalent bonds with Bruton's tyrosine kinase (Btk). Also described are irreversible inhibitors of Btk. Methods for the preparation of the compounds are disclosed. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the Btk inhibitors are told BTK, LCK, LYN HPGD 2586/4885SMN1; SMN2 4293/4885ALDH1A1 3930/4885
US-20120108612-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN HPGD 2986/4885SMN1; SMN2 4262/4885ALDH1A1 4459/4885
US-20160361315-A1 IBRUTINIB PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE BTK, SYK, BCL9 HPGD 1921/4885SMN1; SMN2 4276/4885ALDH1A1 2864/4885

“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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