SCHEMBL216084

SCHEMBL216084

CN1CCC(C)(c2cc[c]cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.50
OPRM1 P35372 8/20 0.39
DRD4 P21917 1/20 0.36
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
KMT2A Q03164 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
SCHEMBL664080 0.83
SCHEMBL684582 0.79 OPRD1 (0.62) OPRD1OPRM1DRD4SLC22A1SLC6A4
SCHEMBL1814521 0.79
SCHEMBL28873897 0.79
SCHEMBL1285012 0.78 OPRL1 (0.40) OPRD1OPRM1OPRK1
SCHEMBL17888280 0.78 OPRM1 (0.56) OPRD1OPRM1
SCHEMBL25674 0.77 ALDH1A1 (0.31)
SCHEMBL13452620 0.76 OPRM1 (0.57) OPRD1OPRM1DRD4KMT2A
SCHEMBL13363165 0.76 OPRD1 (0.50) OPRD1OPRM1
Methyl Alcohol SCHEMBL11452306 0.76 OPRD1 (0.64) OPRD1OPRM1DRD4SLC22A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO 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-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK OPRD1 2355/4885OPRM1 1888/4885DRD4 4185/4885

“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.