SCHEMBL16075640

SCHEMBL16075640

CC(C)(C)OC(=O)NN=C1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 12/20 0.48
SIGMAR1 Q99720 12/20 0.48
PDE4B Q07343 1/20 0.44
CTSL P07711 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PARP1 P09874 1/20 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
SCHEMBL17157090 1.00 TMEM97 (0.48) TMEM97SIGMAR1PDE4BCTSLMEN1
SCHEMBL11981643 0.88 ALDH1A1 (0.49) TMEM97SIGMAR1CTSLMEN1KMT2A
SCHEMBL7884848 0.82 KMT2A (0.48) MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL16075642 0.82 NPFFR1 (0.48) SIGMAR1MEN1KMT2ANPC1RAB9A
SCHEMBL24403426 0.82 NPFFR1 (0.48) SIGMAR1MEN1KMT2ANPC1RAB9A
SCHEMBL15670663 0.81 ALDH1A1 (0.46) PDE4BCTSLKMT2ANPSR1
SCHEMBL19635979 0.81 SYK (0.39) TMEM97SIGMAR1PDE4BCTSLKMT2A
SCHEMBL15670661 0.81 ALDH1A1 (0.46) PDE4BCTSLKMT2ANPSR1
SCHEMBL30793400 0.80 TMEM97 (0.54) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL30793327 0.80 TMEM97 (0.54) TMEM97SIGMAR1MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002251-A1 Bruton's Tyrosine Kinase Inhibitors PFIZER INC. (US) 2021-01-07 US disclosed
US-10815213-B2 Bruton's tyrosine kinase inhibitors PFIZER INC. (US) 2020-10-27 US disclosed
US-20190202798-A1 Bruton's Tyrosine Kinase Inhibitors PFIZER INC. (US) 2019-07-04 US disclosed
US-10266513-B2 Bruton's tyrosine kinase inhibitors PFIZER INC. (US) 2019-04-23 US disclosed
US-20170283393-A1 Bruton's Tyrosine Kinase Inhibitors PFIZER INC. (US) 2017-10-05 US disclosed
EP-2914586-B1 BRUTON'S TYROSINE KINASE INHIBITORS PFIZER (US) 2017-04-05 EP disclosed
US-20150376193-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT JANSSEN PHARMACEUTICA NV (BE) 2015-12-31 US disclosed
US-20150291554-A1 Bruton's Tyrosine Kinase Inhibitors PFIZER (US) 2015-10-15 US disclosed
US-9156847-B2 Processes and intermediates for preparing a medicament JANSSEN PHARMACEUTICA NV (BE) 2015-10-13 US disclosed
US-20140275126-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 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 (8 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-10266513-B2 Bruton's tyrosine kinase inhibitors BTK, LCK, LYN TMEM97 3965/4885SIGMAR1 4583/4885PDE4B 1952/4885
US-20150376193-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT BTK, SYK, JAK2 TMEM97 2630/4885SIGMAR1 2212/4885PDE4B 1362/4885
US-20150291554-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, LYN TMEM97 4027/4885SIGMAR1 4599/4885PDE4B 2197/4885
US-10815213-B2 Bruton's tyrosine kinase inhibitors BTK, LCK, LYN TMEM97 3883/4885SIGMAR1 4508/4885PDE4B 2245/4885
US-20210002251-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, LYN TMEM97 3883/4885SIGMAR1 4508/4885PDE4B 2245/4885
US-20140275126-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT BTK, SYK, JAK2 TMEM97 2630/4885SIGMAR1 2212/4885PDE4B 1362/4885
US-20170283393-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, LYN TMEM97 3965/4885SIGMAR1 4583/4885PDE4B 1952/4885
US-20190202798-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, SYK TMEM97 3997/4885SIGMAR1 4589/4885PDE4B 2222/4885

“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.