SCHEMBL1979225

SCHEMBL1979225

CC(C)(C)OC(=O)N1CCCC(C(=O)NC(CCCc2ccccc2)CCCc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.50
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 2/20 0.48
STS P08842 1/20 0.48
NPC1 O15118 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 3/20 0.48
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
GPR119 Q8TDV5 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45

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
SCHEMBL13938199 0.96 KDM4E (0.50) USP30ALDH1A1RAB9ASTSNPC1
SCHEMBL1979688 0.90 STS (0.60) RAB9ASTSNPC1KMT2AGPR119
SCHEMBL1986802 0.88 FKBP1A (0.48) KMT2AKDM4EMEN1
SCHEMBL13938201 0.88 FKBP1A (0.48) USP30KMT2AKDM4E
SCHEMBL13938176 0.86 STS (0.56) ALDH1A1RAB9ASTSNPC1HPGD
SCHEMBL22616973 0.84 ALDH1A1 (0.69) ALDH1A1RAB9ANPC1CYP3A4CYP2D6
SCHEMBL22616979 0.81 GAA (0.67) ALDH1A1RAB9ASTSNPC1CYP3A4
SCHEMBL22617001 0.81 GAA (0.67) ALDH1A1RAB9ASTSNPC1CYP3A4
SCHEMBL3266038 0.81 YAP1 (0.60) STSGPR119KDM4E
SCHEMBL1980404 0.81 HSD17B10 (0.53) STSKMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326840-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE H LEE MOFFITT CANCER CT & RES (US) 2012-04-11 EP disclosed
EP-1326834-B1 2-SUBSTITUTED HETEROCYCLIC COMPOUNDS H LEE MOFFITT CANCER CT & RES (US) 2011-06-29 EP disclosed
EP-1326834-B1 2-SUBSTITUTED HETEROCYCLIC COMPOUNDS H LEE MOFFITT CANCER CT & RES (US) 2011-06-29 EP disclosed
EP-1326833-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE H LEE MOFFITT CANCER CT & RES (US) 2010-06-02 EP disclosed
US-7476680-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2009-01-13 US disclosed
US-7476680-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2009-01-13 US disclosed
US-7476680-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2009-01-13 US disclosed
US-7304053-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2007-12-04 US disclosed
US-7304053-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2007-12-04 US disclosed
US-7135483-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2006-11-14 US disclosed
US-20060223853-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2006-10-05 US disclosed
EP-1326833-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2003-07-16 EP disclosed
US-20020099215-A1 Substituted heterocyclic compounds for treating multidrug resistance THE PROCTER GAMBLE CO. 2002-07-25 US disclosed
WO-2002032869-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2002-04-25 WO disclosed
US-6376514-B1 PIPERIDINE-DERIVED COMPOUNDS CONTAINING A QUINOLYL GROUP THAT INHIBITS P-GLYCOPROTEIN TRANSPORT PROTEIN ACTIVITY; FOR TREATING CANCER AND OTHER DISEASES THE PROCTER & GAMBLE CO. 2002-04-23 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 (2 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-20060223853-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE ABCC1, ABCB1, ABCB11 USP30 4625/4885ALDH1A1 540/4885RAB9A 684/4885
US-20020099215-A1 Substituted heterocyclic compounds for treating multidrug resistance ABCC1, ABCB1, ABCB11 USP30 3885/4885ALDH1A1 351/4885RAB9A 824/4885

“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.