SCHEMBL799890

SCHEMBL799890

CC(C)OC(=O)Nc1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
KMT2A Q03164 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
ALDH1A1 P00352 2/20 0.63
HPGD P15428 1/20 0.63
GAA P10253 1/20 0.57
MAOB P27338 1/20 0.55
KCNJ11 Q14654 1/20 0.54
RAB9A P51151 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
NPC1 O15118 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAPT P10636 2/20 0.51
ANPEP P15144 1/20 0.50
EPHX1 P07099 1/20 0.50

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
SCHEMBL11660642 0.90 HPGD (0.53) KDM4EKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL5696809 0.88 KDM4E (0.61) KDM4EKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL30374739 0.86 KDM4E (0.60) KDM4EKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL17880836 0.85 KDM4E (0.73) KDM4EKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL14306608 0.85 KDM4E (0.73) KDM4EKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL7300480 0.84 KDM4E (0.57) KDM4EKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL283066 0.83 ALDH1A1 (0.71) KDM4EKMT2AALDH1A1HPGDGAA
SCHEMBL7255889 0.81 HPGD (0.54) KDM4EKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL7305558 0.81 KDM4E (0.57) KDM4EKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL10959557 0.80 ALDH1A1 (0.71) KDM4EKMT2AL3MBTL1ALDH1A1HPGD

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-20170355997-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-12-14 US disclosed
US-20170355997-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-12-14 US disclosed
US-9771592-B2 Methods and compositions for treating or preventing pruritis THE JOHNS HOPKINS UNIVERSITY (US) 2017-09-26 US disclosed
US-9771592-B2 Methods and compositions for treating or preventing pruritis THE JOHNS HOPKINS UNIVERSITY (US) 2017-09-26 US disclosed
US-20140303231-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS THE JOHNS HOPKINS UNIVERSITY (US) 2014-10-09 US disclosed
US-20120073001-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS THE JOHNS HOPKINS UNIVERSITY (US) 2012-03-22 US disclosed
WO-2010065085-A2 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS THE JOHNS HOPKINS UNIVERSITY (US) 2010-06-10 WO disclosed
US-20080027095-A1 Use Of 3-Substituted-2-(Diphenylmethy)-1-Azabicyclo[2.2.2]Octanes For Treating Mrg-X1 Receptor Mediated Diseases MERCK SHARP & DOHME CORP. 2008-01-31 US disclosed
US-20080027095-A1 Use Of 3-Substituted-2-(Diphenylmethy)-1-Azabicyclo[2.2.2]Octanes For Treating Mrg-X1 Receptor Mediated Diseases MERCK SHARP & DOHME CORP. 2008-01-31 US disclosed
US-20040077821-A1 Flame retarding resin composition CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-22 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-20170355997-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS ITCH, CCL11, CPA3 KDM4E 4703/4885KMT2A 4208/4885L3MBTL1 4800/4885
US-20080027095-A1 Use Of 3-Substituted-2-(Diphenylmethy)-1-Azabicyclo[2.2.2]Octanes For Treating Mrg-X1 Receptor Mediated Diseases MRGPRX1, MRGPRX2, MRGPRX4 KDM4E 1730/4885KMT2A 940/4885L3MBTL1 3366/4885
US-20140303231-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS ITCH, CCL11, CPA3 KDM4E 4703/4885KMT2A 4208/4885L3MBTL1 4800/4885
US-20120073001-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS ITCH, CCL11, CPA3 KDM4E 4703/4885KMT2A 4208/4885L3MBTL1 4800/4885

“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.