SCHEMBL21559933

SCHEMBL21559933

CC(C)(C)c1ccc2ncn(CCC(C)(C)c3ccc4nc[nH]c4c3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 4/20 0.38
MMP12 P39900 1/20 0.35
PRPS1 P60891 1/20 0.35
PRKCI P41743 1/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
RAD52 P43351 1/20 0.34
SCN10A Q9Y5Y9 2/20 0.33
QPCTL Q9NXS2 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
KCNH2 Q12809 1/20 0.33
HTT P42858 1/20 0.32
PKM P14618 1/20 0.32
CYP3A4 P08684 1/20 0.32
NAMPT P43490 1/20 0.32
XDH P47989 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
METAP2 P50579 1/20 0.32

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
SCHEMBL21025948 0.81 GRM5 (0.36) PRPS1MAPTKDM4ETDP1HTT
SCHEMBL761114 0.78 PRKCI (0.53) QPCTMMP12PRKCIMAPTKDM4E
SCHEMBL23335614 0.76 MMP12 (0.45) QPCTMMP12PRKCIMAPTKDM4E
SCHEMBL23479575 0.74 TDP1 (0.49) PRPS1MAPTTDP1HTTMTNR1A
SCHEMBL27450228 0.73 SCN10A (0.34) PRPS1SCN10ATDP1KCNH2MTNR1A
SCHEMBL13596561 0.72 MMP12 (0.47) QPCTMMP12PRKCIMAPTKDM4E
SCHEMBL21025781 0.72 HTR6 (0.42) PRPS1MAPTKDM4ETDP1KCNH2
SCHEMBL21026259 0.72 MEN1 (0.58) PRPS1MAPTTDP1HTTPKM
SCHEMBL21026235 0.71 TGFBR1 (0.36) PRPS1MAPTKDM4ETDP1KCNH2
SCHEMBL19171145 0.71 LMNA (0.45) PRPS1MAPTSCN10ATDP1HTT

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-20190343819-A1 Opioid Receptor Ligands And Methods Of Using And Making Same TREVENA, INC. 2019-11-14 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-20190343819-A1 Opioid Receptor Ligands And Methods Of Using And Making Same OPRL1, OPRK1, OPRM1 QPCT 1021/4885MMP12 2193/4885PRPS1 4541/4885

“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.