SCHEMBL178346

SCHEMBL178346

CCCC1(O)CCN(C)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.38
OPRD1 P41143 4/20 0.38
OPRK1 P41145 4/20 0.38
OPRL1 P41146 2/20 0.38
BDKRB2 P30411 1/20 0.33
CCR1 P32246 1/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 3/20 0.33
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
LIPE Q05469 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC22A1 O15245 1/20 0.31
ADRA1A P35348 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL13598970 0.86 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1BDKRB2
SCHEMBL16838113 0.81 NPSR1 (0.32) OPRM1OPRD1OPRK1OPRL1NPSR1
SCHEMBL8372902 0.80 KMT2A (0.34) OPRM1OPRD1OPRK1BDKRB2SLC6A4
SCHEMBL14400310 0.79 KDM4E (0.37) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL383477 0.79 NCF1 (0.33) OPRM1OPRD1OPRK1OPRL1NPSR1
SCHEMBL129415 0.79
SCHEMBL25571576 0.77 NPSR1 (0.41) CCR1CHRM2CHRM3NPSR1GAA
SCHEMBL7839577 0.76 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL21976648 0.76 OPRM1 (0.32) OPRM1OPRD1OPRK1OPRL1
SCHEMBL18562537 0.76 CCR1 (0.31) CCR1

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-11649248-B2 Oxadiazaspiro compounds for the treatment of drug abuse and addiction ESTEVE PHARMACEUTICALS, S.A. (ES) 2023-05-16 US disclosed
WO-2023067560-A1 IONIZABLE CATIONIC COMPOUND Seqirus Inc. (US) 2023-04-27 WO disclosed
US-20210236474-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS AS LSD-1 INHIBITORS UNIV MICHIGAN REGENTS (US) 2021-08-05 US disclosed
US-8828996-B2 Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-09 US disclosed
US-20120264749-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-10-18 US disclosed
US-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2012-03-08 US disclosed
US-7998958-B2 Substituted N-arylsulfonylheterocyclic amines as gamma-secretase inhibitors SCHERING CORPORATION (US) 2011-08-16 US disclosed
US-7763613-B2 Substituted N-arylsulfonylheterocyclic amines as gamma-secretase inhibitors SCHERING CORPORATION (US) 2010-07-27 US disclosed
US-20100093695-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors SCHERING CORP. 2010-04-15 US disclosed
US-20100087425-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors SCHERING CORP. 2010-04-08 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 (6 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-20210236474-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS AS LSD-1 INHIBITORS KDM1A, KDM4A, KDM1B OPRM1 611/4885OPRD1 1317/4885OPRK1 639/4885
US-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 OPRM1 2032/4885OPRD1 2809/4885OPRK1 1227/4885
US-20100093695-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors BACE1, BACE2, APP OPRM1 1498/4885OPRD1 406/4885OPRK1 1037/4885
US-11649248-B2 Oxadiazaspiro compounds for the treatment of drug abuse and addiction OPRD1, OPRM1, OPRK1 OPRM1 2/4885OPRD1 1/4885OPRK1 3/4885
US-20100087425-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors BACE1, BACE2, APP OPRM1 1522/4885OPRD1 412/4885OPRK1 1081/4885
US-20120264749-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPM5, KCNQ1 OPRM1 425/4885OPRD1 258/4885OPRK1 336/4885

“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.