SCHEMBL5624203

SCHEMBL5624203

NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
MAOB P27338 1/20 0.68
NPSR1 Q6W5P4 3/20 0.66
MAPT P10636 3/20 0.66
KDM4E B2RXH2 2/20 0.66
HPGD P15428 1/20 0.66
ALDH1A1 P00352 4/20 0.64
CACNA2D1 P54289 3/20 0.64
CACNA1B Q00975 3/20 0.64
CACNB1 Q02641 3/20 0.64
CACNA1C Q13936 2/20 0.64
MEN1 O00255 1/20 0.64
CACNA1H O95180 1/20 0.64
MGLL Q99685 1/20 0.62
USP2 O75604 1/20 0.59
MAPK1 P28482 1/20 0.59
CNR1 P21554 1/20 0.59
CNR2 P34972 1/20 0.59
NPC1 O15118 1/20 0.57
CA12 O43570 1/20 0.57

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
SCHEMBL27545187 0.85 KMT2A (0.74) KMT2AMAOBNPSR1MAPTKDM4E
SCHEMBL27743845 0.83 KMT2A (0.71) KMT2AMAOBNPSR1MAPTKDM4E
SCHEMBL917665 0.82 KMT2A (0.70) KMT2AMAOBNPSR1MAPTKDM4E
SCHEMBL13994872 0.82 KMT2A (1.00) KMT2AMAOBNPSR1MAPTKDM4E
SCHEMBL4207187 0.82 CACNA2D1 (0.72) CACNA2D1CACNA1BCACNB1CACNA1CCNR1
SCHEMBL4775597 0.81 KMT2A (0.64) KMT2AMAOBNPSR1MAPTKDM4E
SCHEMBL4778556 0.81 CACNA2D1 (0.72) KMT2AMAOBNPSR1MAPTKDM4E
SCHEMBL31350986 0.81 MAOB (1.00) KMT2AMAOBNPSR1MAPTKDM4E
SCHEMBL3919536 0.80 OPRM1 (0.78) KMT2AMAOBNPSR1MAPTKDM4E
SCHEMBL8175607 0.80 OPRM1 (0.78) KMT2AMAOBNPSR1MAPTKDM4E

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
EP-1326840-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE H LEE MOFFITT CANCER CT & RES (US) 2012-04-11 EP 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-6809093-B2 DRUG RESISTANCE THERAPY H. LEE MOFFITT CANCER & RESEARCH INSTITUTE, INC. 2004-10-26 US disclosed
US-6693099-B2 FOR INHIBITING TRANSPORT PROTEIN; THERAPY THE PROCTER & GAMBLE COMPANY 2004-02-17 US disclosed
EP-1326834-A2 2-SUBSTITUTED HETEROCYCLIC COMPOUNDS The Procter & Gamble Company (US) 2003-07-16 EP disclosed
EP-1326840-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2003-07-16 EP disclosed
US-20020128269-A1 Substituted heterocyclic compounds for treating multidrug resistance PROCTER & GAMBLE COMPANY, THE 2002-09-12 US disclosed
US-20020123498-A1 SUBSTITUTED PIPERAZINE COMPOUNDS OPTIONALLY CONTAINING A QUINOLYL MOIETY FOR TREATING MULTIDRUG RESISTANCE H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. 2002-09-05 US disclosed
US-20020119979-A1 Acyclic compounds and methods for treating multidrug resistance PROCTER & GAMBLE COMPANY, THE 2002-08-29 US disclosed
US-20020119960-A1 Substituted piperidine amides and methods of their use H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. 2002-08-29 US disclosed
US-20020115659-A1 Compounds having heterocyclic groups containing two nitrogen atoms for treating multidrug resistance PROCTER & GAMBLE COMPANY, THE 2002-08-22 US disclosed
WO-2002032868-A2 2-SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE IN TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2002-04-25 WO disclosed
WO-2002032874-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2002-04-25 WO disclosed
WO-2002032871-A2 COMPOUNDS AND METHODS FOR TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2002-04-25 WO 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 (5 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-20020115659-A1 Compounds having heterocyclic groups containing two nitrogen atoms for treating multidrug resistance ABCC1, ABCB1, ABCB11 KMT2A 3453/4885MAOB 735/4885NPSR1 1560/4885
US-20020119960-A1 Substituted piperidine amides and methods of their use ABCC1, SLC11A2, ABCB1 KMT2A 2186/4885MAOB 744/4885NPSR1 1566/4885
US-20020119979-A1 Acyclic compounds and methods for treating multidrug resistance ABCC1, ABCB1, ABCB11 KMT2A 3528/4885MAOB 935/4885NPSR1 3051/4885
US-20020123498-A1 SUBSTITUTED PIPERAZINE COMPOUNDS OPTIONALLY CONTAINING A QUINOLYL MOIETY FOR TREATING MULTIDRUG RESISTANCE ABCC1, ABCB1, ABCC5 KMT2A 3105/4885MAOB 1615/4885NPSR1 3381/4885
US-20020128269-A1 Substituted heterocyclic compounds for treating multidrug resistance ABCC1, ABCB1, ABCG2 KMT2A 3107/4885MAOB 468/4885NPSR1 3700/4885

“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.