SCHEMBL3349819

SCHEMBL3349819

N[C@H](c1cc(F)cc(F)c1)C1CCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.44
OPRD1 P41143 6/20 0.44
OPRK1 P41145 6/20 0.44
OPRL1 P41146 6/20 0.44
EPHX1 P07099 1/20 0.41
DPP4 P27487 3/20 0.36
DPP9 Q86TI2 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
RPS6KB1 P23443 2/20 0.31
GRIA4 P48058 1/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL29155234 1.00 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1EPHX1
SCHEMBL29155289 0.96 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1EPHX1
SCHEMBL4287048 0.91 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1EPHX1
SCHEMBL1551516 0.81 OPRL1 (0.52) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL2675725 0.79 RPS6KB1 (0.46) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL12052181 0.79 RPS6KB1 (0.46) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL2790915 0.79 RPS6KB1 (0.46) OPRM1OPRD1OPRK1OPRL1IDO1
SCHEMBL24334076 0.78 RPS6KB1 (0.32) OPRM1OPRD1OPRK1OPRL1RPS6KB1
SCHEMBL8249942 0.75 RPS6KB1 (0.46) OPRM1OPRD1OPRK1OPRL1DPP4
SCHEMBL12052190 0.75 RPS6KB1 (0.46) OPRM1OPRD1OPRK1OPRL1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415373-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-04-09 US claimed
EP-2513061-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2012-10-24 EP claimed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 US claimed
WO-2010045948-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-04-29 WO claimed
US-8415373-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-04-09 US disclosed
US-8415373-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-04-09 US disclosed
US-8415373-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-04-09 US disclosed
EP-2513061-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2012-10-24 EP disclosed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 US disclosed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 US disclosed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 US disclosed
US-20110288120-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-11-24 US disclosed
US-20110288120-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-11-24 US disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 US disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 US disclosed
WO-2010045948-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-04-29 WO disclosed
WO-2010045948-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-04-29 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 (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-20110288120-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNK3, KCNQ3, KCNN3 OPRM1 761/4885OPRD1 403/4885OPRK1 174/4885
US-20110144164-A1 Pyridone derivatives as NK3 antagonists KCNK3, GRIK3, KCND3 OPRM1 1140/4885OPRD1 1034/4885OPRK1 206/4885

“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.