SCHEMBL800329

SCHEMBL800329

CC(C)OC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
PDK2 Q15119 1/20 0.51
NPC1 O15118 1/20 0.50
MRGPRX1 Q96LB2 1/20 0.47
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL14803480 0.84 NPC1 (0.51) LMNAPDK2NPC1PDCD1CD274
SCHEMBL16673182 0.84 MRGPRX1 (0.49) LMNAGAAPDK2NPC1MRGPRX1
SCHEMBL28534333 0.83 PDK2 (0.46) LMNAGAAPDK2NPC1PDCD1
SCHEMBL137907 0.81 NPC1 (0.62) LMNAPDK2NPC1PDCD1CD274
SCHEMBL16672680 0.81 LMNA (0.42) LMNAGAAPDK2NPC1MRGPRX1
SCHEMBL45490 0.80 LMNA (0.59) LMNAGAAPDK2CA1CA2
SCHEMBL20332068 0.80 MAPT (0.49) PDK2CA12CA1CA2CA7
SCHEMBL10519876 0.80 LMNA (0.58) LMNAGAAKCNK3KCNK9PTGS1
SCHEMBL1405144 0.80 LMNA (0.58) LMNAGAAMRGPRX1KCNK3KCNK9
SCHEMBL7031981 0.79 NPC1 (0.45) LMNAGAAPDK2NPC1CA12

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 7 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-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
US-20120073001-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS THE JOHNS HOPKINS UNIVERSITY (US) 2012-03-22 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-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

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 LMNA 2534/4885GAA 1053/4885PDK2 4806/4885
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 LMNA 3752/4885GAA 3778/4885PDK2 4368/4885
US-20140303231-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS ITCH, CCL11, CPA3 LMNA 2534/4885GAA 1053/4885PDK2 4806/4885
US-20120073001-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS ITCH, CCL11, CPA3 LMNA 2534/4885GAA 1053/4885PDK2 4806/4885

“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.