SCHEMBL563687

SCHEMBL563687

O=C(O)N1CC=CC1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.47
PSEN2 P49810 3/20 0.47
APH1B Q8WW43 3/20 0.47
NCSTN Q92542 3/20 0.47
APH1A Q96BI3 3/20 0.47
PSENEN Q9NZ42 3/20 0.47
ABHD6 Q9BV23 3/20 0.45
DAGLA Q9Y4D2 3/20 0.45
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCB1 P08183 1/20 0.39

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
SCHEMBL27992974 0.79 ABHD6 (0.57) ABHD6DAGLAALDH1A1HSD17B10CYP3A4
SCHEMBL29081702 0.75 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22289778 0.73 P2RX7 (0.38)
SCHEMBL28122611 0.72 ABHD6 (0.43) ABHD6DAGLAALDH1A1HSD17B10CYP3A4
SCHEMBL17542008 0.71 ABCB1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28879326 0.71 ABCB1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL249943 0.71 HPGD (0.50) ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL5738027 0.70 POLB (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18862948 0.70 TACR3 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3920137 0.70 CYP3A4 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210145824-A1 MODULATORS OF CELLULAR ADHESION NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-05-20 US disclosed
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2019-05-09 US disclosed
US-10124000-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2018-11-13 US disclosed
EP-2788086-B1 SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-10-12 EP disclosed
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2016-03-17 US disclosed
US-9248126-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2016-02-02 US disclosed
US-9216174-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2015-12-22 US disclosed
US-8741892-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-03 US disclosed
US-20140066476-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-03-06 US disclosed
US-20140051675-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-02-20 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 US disclosed
EP-1682537-A1 MODULATORS OF CELLULAR ADHESION Sunesis Pharmaceuticals, Inc. (US) 2006-07-26 EP disclosed
EP-1636224-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE Prosidion Limited (GB) 2006-03-22 EP disclosed
US-20050267098-A1 Modulators of cellular adhesion JPMORGAN CHASE BANK, N.A., AS SUCCESSOR AGENT 2005-12-01 US disclosed
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2005-11-24 US disclosed
WO-2005044817-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2005-05-19 WO disclosed
US-6875784-B2 Antimibicrobial [3.1.0.] bicyclic oxazolidinone derivatives PHARMACIA & UPJOHN COMPANY (US) 2005-04-05 US disclosed
WO-2004104001-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LIMITED (GB) 2004-12-02 WO disclosed
US-20040127530-A1 Antimibicrobial [3.1.0.] bicyclic oxazolidinone derivatives PHARMACIA & UPJOHN COMPANY 2004-07-01 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 (10 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-20210145824-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 PSEN1 2032/4885PSEN2 3412/4885APH1B 957/4885
US-20140066476-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 PSEN1 2032/4885PSEN2 3412/4885APH1B 957/4885
US-20140051675-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 PSEN1 2032/4885PSEN2 3412/4885APH1B 957/4885
US-10124000-B2 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 PSEN1 2032/4885PSEN2 3412/4885APH1B 957/4885
US-20050267098-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 PSEN1 2032/4885PSEN2 3412/4885APH1B 957/4885
US-20040127530-A1 Antimibicrobial [3.1.0.] bicyclic oxazolidinone derivatives OXA1L, CYP1B1, MT-CO1 PSEN1 2491/4885PSEN2 3411/4885APH1B 1433/4885
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 PSEN1 2032/4885PSEN2 3412/4885APH1B 957/4885
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE PYGL, PYGM, PYGB PSEN1 1459/4885PSEN2 1700/4885APH1B 1440/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB PSEN1 1459/4885PSEN2 1700/4885APH1B 1440/4885
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 PSEN1 2032/4885PSEN2 3412/4885APH1B 957/4885

“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.