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) —
SCHEMBL214820 0.76 OPRD1 (0.50) OPRD1OPRM1DRD4KMT2A
Methyl Alcohol SCHEMBL11452306 0.76 OPRD1 (0.64) OPRD1OPRM1DRD4SLC22A1SLC6A4
SCHEMBL13452620 0.76 OPRM1 (0.57) OPRD1OPRM1DRD4KMT2A

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.

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