SCHEMBL16333552

SCHEMBL16333552

COCCOCCOCCO[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.47
LIPC P11150 1/20 0.47
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.35
USP1 O94782 2/20 0.33
PDK2 Q15119 1/20 0.33
OPRM1 P35372 3/20 0.33
POLB P06746 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL18426120 0.95 KMT2A (0.42) LIPGLIPCKMT2ATAAR1USP1
SCHEMBL18426119 0.95 KMT2A (0.42) LIPGLIPCKMT2ATAAR1USP1
SCHEMBL4433970 0.86 TAAR1 (0.46) LIPGLIPCKMT2ATAAR1PDK2
SCHEMBL27037834 0.82 PDK2 (0.40) LIPGLIPCKMT2ATAAR1PDK2
SCHEMBL16333183 0.82 PRMT5 (0.44) LIPGLIPCKMT2A
SCHEMBL16333181 0.82 PRMT5 (0.44) LIPGLIPCKMT2A
SCHEMBL20362229 0.79 LIPG (0.33) LIPGLIPCTAAR1
SCHEMBL22835940 0.79 LIPG (0.42) LIPGLIPCKMT2ATAAR1PDK2
SCHEMBL22835620 0.79 LIPG (0.42) LIPGLIPCKMT2ATAAR1PDK2
SCHEMBL16414502 0.79 LIPG (0.42) LIPGLIPCKMT2ATAAR1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11111214-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2021-09-07 US disclosed
US-20190352291-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2019-11-21 US disclosed
EP-3013812-B1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS (US) 2019-10-16 EP disclosed
US-10407416-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2019-09-10 US disclosed
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2018-01-18 US disclosed
EP-3013812-A2 KAPPA OPIOID AGONISTS AND USES THEREOF Nektar Therapeutics (US) 2016-05-04 EP disclosed
WO-2014210436-A2 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS (US) 2014-12-31 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 (4 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-20190352291-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRM1 LIPG 3427/4885LIPC 1653/4885KMT2A 3315/4885
US-11111214-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRM1 LIPG 3451/4885LIPC 1592/4885KMT2A 3260/4885
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRL1 LIPG 4216/4885LIPC 3119/4885KMT2A 2610/4885
US-10407416-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRL1 LIPG 4216/4885LIPC 3119/4885KMT2A 2610/4885

“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.