SCHEMBL8936087

SCHEMBL8936087

C[C@H]1CC(=O)CN1Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
ACHE P22303 1/20 0.42
KMT2A Q03164 1/20 0.41
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
ELANE P08246 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
CTRC Q99895 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
SIGMAR1 Q99720 2/20 0.40

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
SCHEMBL891774 1.00 MAPT (0.47) MAPTCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL755504 0.83 MAPT (0.45) MAPTACHESIGMAR1
SCHEMBL22873345 0.83 MAPT (0.45) MAPTACHESIGMAR1
SCHEMBL15648976 0.83 MAPT (0.45) MAPTACHEHPGDSIGMAR1ALDH1A1
SCHEMBL3056314 0.82 CHRM2 (0.44) MAPTCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL15700421 0.82 CHRM2 (0.44) MAPTCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL3056318 0.82 CHRM2 (0.44) MAPTCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL3056320 0.82 CHRM2 (0.44) MAPTCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6204136 0.82 CHRM2 (0.44) MAPTCSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL4983527 0.78 EP300 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9814699-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2017-11-14 US disclosed
US-20160158201-A1 CHEMICAL COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2016-06-09 US disclosed
EP-3006441-A1 NS5A INHIBITORS Janssen Pharmaceuticals, Inc. (US) 2016-04-13 EP disclosed
US-20150374668-A1 CHEMICAL COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2015-12-31 US disclosed
US-9150587-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2015-10-06 US disclosed
CN-102229605-B N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALY SRL 2015-01-14 CN disclosed
US-20140371455-A1 Chemical compounds JANSSEN PHARMACEUTICALS INC (US) 2014-12-18 US disclosed
US-8492554-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-07-23 US disclosed
US-20130072690-A1 Chemical Compounds GLAXOSMITHKLINE LLC (US) 2013-03-21 US disclosed
EP-2473056-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2012-07-11 EP disclosed
EP-0659178-A4 CHIRAL QUINOLONE INTERMEDIATES. ABBOTT LAB (US) 1996-03-27 EP disclosed
EP-0659178-A1 CHIRAL QUINOLONE INTERMEDIATES ABBOTT LABORATORIES (US) 1995-06-28 EP disclosed
WO-1994006766-A1 CHIRAL QUINOLONE INTERMEDIATES ABBOTT LABORATORIES (US) 1994-03-31 WO disclosed
US-5252747-A Chiral quinolone intermediates ABBOTT LABORATORIES (US) 1993-10-12 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-20150374668-A1 CHEMICAL COMPOUNDS SLC10A1, UGT1A3, UGT2B7 MAPT 2480/4885CSNK2A2 1612/4885CSNK2B 1399/4885
US-20160158201-A1 CHEMICAL COMPOUNDS SLC10A1, UGT1A3, UGT2B7 MAPT 2480/4885CSNK2A2 1612/4885CSNK2B 1399/4885
US-20140371455-A1 Chemical compounds SLC10A1, UGT1A3, UGT2B7 MAPT 2480/4885CSNK2A2 1612/4885CSNK2B 1399/4885
US-20130072690-A1 Chemical Compounds SLC10A1, UGT1A3, UGT2B7 MAPT 2480/4885CSNK2A2 1612/4885CSNK2B 1399/4885

“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.