SCHEMBL13287331

SCHEMBL13287331

CNC(=O)NCC1CCN(C)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
NAMPT P43490 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
EPHX1 P07099 4/20 0.40
EPHX2 P34913 4/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 3/20 0.39
SSTR4 P31391 2/20 0.38
PARP1 P09874 1/20 0.38
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
MCL1 Q07820 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL13853539 0.91 MAPT (0.48) MAPTNAMPTEPHX1EPHX2KDM4E
SCHEMBL25808542 0.81 MTNR1A (0.44) MAPTNAMPTDRD2DRD3MAPK1
SCHEMBL5740884 0.81 MTNR1A (0.44) MAPTNAMPTDRD2DRD3MAPK1
SCHEMBL856649 0.81 CYP2D6 (0.44) MAPTNAMPTDRD2DRD3MAPK1
SCHEMBL31420630 0.81 CYP2D6 (0.44) MAPTNAMPTDRD2DRD3MAPK1
SCHEMBL20807877 0.81 EPHX2 (0.51) MAPTEPHX1EPHX2KDM4EALDH1A1
SCHEMBL20666080 0.81 MAPT (0.41) MAPTNAMPTDRD2DRD3EPHX1
SCHEMBL3937928 0.80 NAMPT (0.42) MAPTNAMPTDRD2DRD3EPHX1
SCHEMBL14365983 0.79 BRD4 (0.53) MAPTEPHX1EPHX2KDM4EALDH1A1
SCHEMBL22169743 0.79 SSTR4 (0.48) MAPTNAMPTDRD2DRD3SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 US disclosed
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 US disclosed
US-20100137361-A1 Tetrahydro-Quinolinylurea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-03 US disclosed
US-7683076-B2 Tetrahydro-quinolinylurea derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-23 US disclosed
US-7615557-B2 Tetrahydro-naphthalene and urea derivatives XENTION LIMITED (GB) 2009-11-10 US disclosed
US-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain SMITHKLINE BEECHAM PLC. (GB) 2009-06-25 US disclosed
US-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-7390817-B2 Combinations of a vanilloid antagonist and an NSAID for the treatment of pain GLAXO GROUP LIMITED (GB) 2008-06-24 US disclosed
US-20080058377-A1 Bicyclic Amide, Carbamate or Urea Derivatives as Vanilloid Receptor Modulators BAYER HEALTHCARE AG (DE) 2008-03-06 US disclosed
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
US-20070213363-A1 Tetrahydro-Quinolinylurea Derivatives BAYER HEALTHCARE AG (DE) 2007-09-13 US disclosed
US-20070167458-A1 Tetrahydro-naphthalene and urea derivatives BAYER HEALTHCARE AG (DE) 2007-07-19 US disclosed
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 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 (9 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-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain U2SURP, UMPS, SFPQ MAPT 1303/4885NAMPT 2194/4885DRD2 1760/4885
US-20070213363-A1 Tetrahydro-Quinolinylurea Derivatives NMUR1, OPRL1, NQO2 MAPT 2696/4885NAMPT 820/4885DRD2 445/4885
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 MAPT 4850/4885NAMPT 397/4885DRD2 569/4885
US-20080058377-A1 Bicyclic Amide, Carbamate or Urea Derivatives as Vanilloid Receptor Modulators NMUR1, CNR1, AVPR1A MAPT 2061/4885NAMPT 1071/4885DRD2 966/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 MAPT 4850/4885NAMPT 397/4885DRD2 569/4885
US-20070167458-A1 Tetrahydro-naphthalene and urea derivatives NQO2, UGT1A4, CYP4B1 MAPT 1696/4885NAMPT 1117/4885DRD2 2687/4885
US-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain TRPV1, OPRL1, UTS2R MAPT 2168/4885NAMPT 2318/4885DRD2 917/4885
US-20100137361-A1 Tetrahydro-Quinolinylurea Derivatives NMUR1, OPRL1, HVCN1 MAPT 2668/4885NAMPT 699/4885DRD2 446/4885
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives NMUR1, GPR17, NMUR2 MAPT 949/4885NAMPT 1461/4885DRD2 379/4885

“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.