SCHEMBL9883333

SCHEMBL9883333

CC(N)=NNc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 4/20 0.50
KDM4E B2RXH2 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NOS1 P29475 3/20 0.48
NOS3 P29474 2/20 0.48
GFER P55789 1/20 0.46
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
XDH P47989 1/20 0.41
TAS2R38 P59533 2/20 0.41

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
SCHEMBL18774078 1.00 GAA (0.51) GAAKMT2AMEN1RAB9AMAPT
SCHEMBL3086579 0.81 GAA (0.50) GAAKMT2AMEN1RAB9AMAPT
SCHEMBL2746282 0.81 GAA (0.53) GAAKMT2AMEN1RAB9AMAPT
SCHEMBL8476490 0.79 GAA (0.66) GAAKMT2AMEN1RAB9AMAPT
SCHEMBL8476492 0.79 GFER (0.57) GAAKMT2AMEN1RAB9AMAPT
SCHEMBL11674433 0.77 GAA (0.47) GAAKMT2AMEN1RAB9AMAPT
SCHEMBL17119830 0.77 GAA (0.47) GAAKMT2AMEN1RAB9AMAPT
SCHEMBL26537590 0.77 GAA (0.47) GAAKMT2AMEN1RAB9AMAPT
SCHEMBL7487475 0.77 MAPT (0.51) GAAKMT2AMEN1RAB9AMAPT
SCHEMBL7487469 0.77 MAPT (0.51) GAAKMT2AMEN1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188128-B2 Opioid receptor subtype-selective agents THE UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-05-29 US disclosed
US-20090181998-A1 OPIOID RECEPTOR SUBTYPE-SELECTIVE AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2009-07-16 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-20090181998-A1 OPIOID RECEPTOR SUBTYPE-SELECTIVE AGENTS OPRM1, OPRK1, OPRL1 GAA 2229/4885KMT2A 3374/4885MEN1 4845/4885

“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.