SCHEMBL9950971

SCHEMBL9950971

Cc1nc(C(F)F)nn1CC[C@@]1(c2ccccc2)C[C@H]1COC(=O)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
OPRM1 P35372 2/20 0.30
SLC22A1 O15245 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL9950358 0.83 OPRK1 (0.32) OPRK1
SCHEMBL9951344 0.80 HCRTR2 (0.33) KCNH2
SCHEMBL9950809 0.78
SCHEMBL10188802 0.75 OPRK1 (0.36) NPC1OPRM1SLC22A1SLC6A4ADRA1A
SCHEMBL9950367 0.75 OPRK1 (0.36) NPC1OPRM1SLC22A1SLC6A4ADRA1A
SCHEMBL10188807 0.74 NPC1 (0.35) NPC1OPRM1SLC22A1SLC6A4ADRA1A
SCHEMBL9950559 0.74 NPC1 (0.35) NPC1OPRM1SLC22A1SLC6A4ADRA1A
SCHEMBL9950351 0.73 HCRTR2 (0.42) OPRM1OPRD1KCNH2
SCHEMBL9950228 0.71 HCRTR2 (0.55) KCNH2
SCHEMBL10189120 0.70 HCRTR2 (0.59) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 US disclosed
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 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-20120165339-A1 CYCLOPROPANE DERIVATIVES HCRTR2, HCRTR1, CNR1 NPC1 710/4885OPRM1 57/4885SLC22A1 459/4885

“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.