SCHEMBL17864348

SCHEMBL17864348

N[C@H]1CCC[C@@H]1OCCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.59
OPRK1 P41145 2/20 0.57
OPRD1 P41143 1/20 0.57
IDO1 P14902 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
AGTR2 P50052 5/20 0.41
LMNA P02545 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL410625 0.87 OPRM1 (0.51) OPRM1OPRK1OPRD1IDO1MAOB
SCHEMBL13303676 0.87 OPRM1 (0.51) OPRM1OPRK1OPRD1IDO1MAOB
SCHEMBL409661 0.87 OPRM1 (0.51) OPRM1OPRK1OPRD1IDO1MAOB
SCHEMBL410620 0.87 OPRM1 (0.51) OPRM1OPRK1OPRD1IDO1MAOB
SCHEMBL411240 0.87 OPRM1 (0.51) OPRM1OPRK1OPRD1IDO1MAOB
SCHEMBL13303644 0.87 OPRM1 (0.51) OPRM1OPRK1OPRD1IDO1MAOB
SCHEMBL26110727 0.83 OPRM1 (0.54) OPRM1OPRK1OPRD1IDO1MEN1
SCHEMBL19381818 0.81 OPRM1 (0.63) OPRM1OPRK1OPRD1IDO1MEN1
SCHEMBL3836108 0.80 PSEN1 (0.47) OPRM1IDO1
SCHEMBL3838685 0.80 PSEN1 (0.47) OPRM1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
WO-2016100050-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2016095089-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 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-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 OPRM1 3291/4885OPRK1 1822/4885OPRD1 2271/4885

“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.