SCHEMBL2885113

SCHEMBL2885113

Nc1cccc(C2(O)CCN(C(=O)OCc3ccccc3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.61
OPRK1 P41145 2/20 0.52
OPRD1 P41143 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
CHRM4 P08173 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
FAAH O00519 1/20 0.46
ENPP2 Q13822 1/20 0.45
ATXN2 Q99700 1/20 0.45
KDM1A O60341 2/20 0.44
ALDH1A1 P00352 4/20 0.44

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
SCHEMBL7556949 0.88 CHRM4 (0.61) NOS2OPRK1OPRD1SMN1; SMN2MEN1
SCHEMBL15379133 0.87 NOS2 (0.54) NOS2OPRK1OPRD1SMN1; SMN2MEN1
SCHEMBL8317190 0.85 NOS2 (0.58) NOS2OPRK1OPRD1SMN1; SMN2MEN1
SCHEMBL7504527 0.84 ALDH1A1 (0.60) NOS2OPRK1OPRD1SMN1; SMN2MEN1
SCHEMBL7284050 0.83 OPRM1 (0.58) NOS2OPRK1OPRD1SMN1; SMN2MEN1
SCHEMBL4159590 0.83 NOS2 (0.58) NOS2OPRK1OPRD1SMN1; SMN2MEN1
SCHEMBL2878327 0.81 NOS2 (0.54) NOS2OPRK1OPRD1SMN1; SMN2MEN1
SCHEMBL29995634 0.81 NOS2 (0.54) NOS2OPRK1OPRD1SMN1; SMN2MEN1
SCHEMBL29087312 0.81 NOS2 (0.54) NOS2OPRK1OPRD1SMN1; SMN2MEN1
SCHEMBL10566099 0.80 MEN1 (0.53) NOS2OPRK1OPRD1SMN1; SMN2MEN1

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-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 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-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MC1R, MCHR1, MCHR2 NOS2 3160/4885OPRK1 41/4885OPRD1 74/4885

“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.