SCHEMBL20135156

SCHEMBL20135156

Cc1ccc(C2(O)CCNCC2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
OPRM1 P35372 2/20 0.41
DRD2 P14416 2/20 0.41
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
HTR1A P08908 7/20 0.35
HTR3A P46098 7/20 0.35
ALDH1A1 P00352 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
CYP2D6 P10635 2/20 0.33
PRKAB2 O43741 1/20 0.33

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
SCHEMBL29689237 1.00 SIGMAR1 (0.46) SIGMAR1OPRM1DRD2TP53TDP1
SCHEMBL1266110 0.86 SIGMAR1 (0.46) SIGMAR1OPRM1DRD2TDP1GABRD
SCHEMBL750271 0.84 SIGMAR1 (0.45) SIGMAR1OPRM1DRD2
SCHEMBL11962819 0.83 PRKAB2 (0.40) OPRM1DRD2TP53TDP1DRD4
SCHEMBL13467506 0.83 TP53 (0.40) OPRM1DRD2TP53TDP1DRD4
SCHEMBL655261 0.83 DRD2 (0.54) SIGMAR1OPRM1DRD2HTR1APRKAB2
SCHEMBL4701018 0.80 HTR1A (0.50) SIGMAR1OPRM1DRD2TP53HTR1A
SCHEMBL2271940 0.79 SIGMAR1 (0.44) SIGMAR1OPRM1DRD2GABRDGABRA1
SCHEMBL14676690 0.79 RAB9A (0.38) OPRM1DRD2TP53TDP1ALDH1A1
SCHEMBL2270935 0.78 SIGMAR1 (0.62) SIGMAR1OPRM1DRD2ADRB1HTR2C

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 SIGMAR1 4509/4885OPRM1 2305/4885DRD2 3408/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 SIGMAR1 4675/4885OPRM1 1980/4885DRD2 3522/4885

“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.