SCHEMBL4334115

SCHEMBL4334115

Cn1[nH]c(=O)c(Br)c1C(c1ccccc1)N1CCC(C(=O)NCc2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.48
OPRM1 P35372 3/20 0.48
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
OPRD1 P41143 3/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.40
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
OPRK1 P41145 2/20 0.38
TACR1 P25103 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 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
SCHEMBL4341190 0.88 OPRL1 (0.43) OPRL1OPRM1ALDH1A1CHRM5CHRM3
SCHEMBL4341092 0.84 OPRL1 (0.41) OPRL1OPRM1ALDH1A1OPRD1OPRK1
SCHEMBL4330985 0.82 SMN1; SMN2 (0.44) OPRL1OPRM1ALDH1A1OPRD1OPRK1
SCHEMBL4322729 0.81 KCNA3 (0.40) OPRL1OPRM1ALDH1A1OPRD1KCNH2
SCHEMBL4318217 0.75 ADRA1D (0.40) OPRL1OPRM1OPRD1OPRK1CA1
SCHEMBL4333175 0.75 OPRM1 (0.43) OPRL1OPRM1ALDH1A1MEN1KMT2A
SCHEMBL4326114 0.75 OPRM1 (0.43) OPRL1OPRM1ALDH1A1MEN1KMT2A
SCHEMBL4325746 0.75 LMNA (0.48) OPRL1OPRM1ALDH1A1MEN1KMT2A
SCHEMBL4913158 0.73 ALDH1A1 (0.67) OPRL1OPRM1ALDH1A1CHRM5CHRM3
SCHEMBL4331690 0.73 OPRM1 (0.43) OPRL1OPRM1ALDH1A1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 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 (1 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-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A OPRL1 96/4885OPRM1 264/4885ALDH1A1 1785/4885

“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.