SCHEMBL4330985

SCHEMBL4330985

CN(C)C(=O)C1(c2ccccc2)CCN(C(c2ccccc2)c2c(Br)c(=O)[nH]n2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
OPRL1 P41146 11/20 0.39
OPRM1 P35372 11/20 0.39
OPRD1 P41143 10/20 0.39
OPRK1 P41145 10/20 0.39
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
ALDH1A1 P00352 1/20 0.38
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
NPY1R P25929 1/20 0.37
SLC6A4 P31645 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
SCHEMBL4341092 0.88 OPRL1 (0.41) SMN1; SMN2OPRL1OPRM1OPRD1OPRK1
SCHEMBL4341190 0.86 OPRL1 (0.43) SMN1; SMN2OPRL1OPRM1OPRD1OPRK1
SCHEMBL4322729 0.85 KCNA3 (0.40) SMN1; SMN2OPRL1OPRM1OPRD1OPRK1
SCHEMBL4334115 0.82 OPRL1 (0.48) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL4318217 0.79 ADRA1D (0.40) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4331690 0.75 OPRM1 (0.43) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL4332987 0.73 OPRD1 (0.49) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4326114 0.73 OPRM1 (0.43) SMN1; SMN2OPRL1OPRM1OPRD1OPRK1
SCHEMBL4333175 0.73 OPRM1 (0.43) SMN1; SMN2TSHROPRL1OPRM1OPRD1
SCHEMBL4325746 0.73 LMNA (0.48) SMN1; SMN2OPRL1OPRM1OPRD1OPRK1

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 SMN1; SMN2 1220/4885TSHR 240/4885OPRL1 96/4885

“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.