SCHEMBL1919581

SCHEMBL1919581

O=C(OCc1ccccc1)N1CC2CC1CC2O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.45
HTR2C P28335 1/20 0.45
AGTR2 P50052 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 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
SCHEMBL30036162 1.00 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24087502 1.00 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12458049 1.00 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1919579 1.00 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26214878 1.00 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16330597 0.85 HTR2C (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2282075 0.83 HTR2C (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15669944 0.82 SMN1; SMN2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21216728 0.79 ALDH1A1 (0.44) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL22901344 0.79 ALDH1A1 (0.44) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19

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 31 patents — showing the first 20. 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
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
EP-2914586-B1 BRUTON'S TYROSINE KINASE INHIBITORS PFIZER (US) 2017-04-05 EP disclosed
US-20150291554-A1 Bruton's Tyrosine Kinase Inhibitors PFIZER (US) 2015-10-15 US disclosed
US-20150291554-A1 Bruton's Tyrosine Kinase Inhibitors PFIZER (US) 2015-10-15 US disclosed
WO-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
WO-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
WO-2010031707-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
WO-2010031707-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS DANHO WALEED 2010-03-18 US disclosed
US-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS DANHO WALEED 2010-03-18 US disclosed
US-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS DANHO WALEED 2010-03-18 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 PSEN1 4582/4885PSEN2 4346/4885APH1B 3672/4885
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof HRH3, HRH4, HRH2 PSEN1 996/4885PSEN2 731/4885APH1B 4018/4885
US-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS NPY2R, NPY1R, NPY4R PSEN1 3140/4885PSEN2 1844/4885APH1B 3821/4885
US-20150291554-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, LYN PSEN1 4401/4885PSEN2 4029/4885APH1B 3700/4885
US-10815213-B2 Bruton's tyrosine kinase inhibitors BTK, LCK, LYN PSEN1 4283/4885PSEN2 4079/4885APH1B 3565/4885
US-20210002251-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, LYN PSEN1 4283/4885PSEN2 4079/4885APH1B 3565/4885
US-20170283393-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, LYN PSEN1 4582/4885PSEN2 4346/4885APH1B 3672/4885
US-20190202798-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, SYK PSEN1 4311/4885PSEN2 4106/4885APH1B 3610/4885

“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.