SCHEMBL20135342

SCHEMBL20135342

Cc1cnc(C2(O)CCNCC2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
DRD2 P14416 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
SYK P43405 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
PDK2 Q15119 1/20 0.31

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
SCHEMBL6668714 0.75 SIGMAR1 (0.41) OPRM1NOS3NOS1NOS2DRD2
SCHEMBL2273415 0.71 OPRM1 (0.64) OPRM1DRD2SIGMAR1SYK
SCHEMBL25566263 0.70 NOS3 (0.39) NOS3NOS1NOS2PDK2
SCHEMBL12178803 0.70 DRD2 (0.46) DRD2SIGMAR1PDK2
SCHEMBL20135156 0.69 SIGMAR1 (0.46) OPRM1DRD2SIGMAR1
SCHEMBL29689237 0.69 SIGMAR1 (0.46) OPRM1DRD2SIGMAR1
SCHEMBL20135152 0.68 ACACB (0.44) SYK
SCHEMBL25566256 0.68 NOS3 (0.37) NOS3NOS1NOS2PDK2
SCHEMBL25876886 0.68 OPRM1 (0.42) OPRM1
SCHEMBL16770453 0.67 PIM1 (0.38) NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP 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 (2 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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 OPRM1 2305/4885NOS3 94/4885NOS1 85/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 OPRM1 1980/4885NOS3 74/4885NOS1 66/4885

“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.