SCHEMBL17765071

SCHEMBL17765071

O=C(OCc1ccccc1)N1CCC(OCCO)C1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
CYP2C19 P33261 1/20 0.56
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PDE4B Q07343 1/20 0.48
GRIN2B Q13224 7/20 0.48
HTT P42858 1/20 0.48
CYP2D6 P10635 4/20 0.47
CYP2C9 P11712 4/20 0.47
F13A1 P00488 2/20 0.46
TGM2 P21980 2/20 0.46
TGM1 P22735 2/20 0.46
BCHE P06276 1/20 0.46
USP30 Q70CQ3 1/20 0.45
CYP3A4 P08684 3/20 0.45
ENPP2 Q13822 1/20 0.44

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
SCHEMBL16340641 1.00 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL21906825 1.00 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL17765068 0.93 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL16333465 0.93 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1320183 0.92 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL27098008 0.90 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL13519203 0.89 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL16333453 0.88 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL28563537 0.88 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL16340503 0.88 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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
US-9815824-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2017-11-14 US disclosed
US-20160145245-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2016-05-26 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 (5 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-20160145245-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRM1 SMN1; SMN2 1569/4885NPC1 1933/4885RAB9A 3516/4885
US-20190352291-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRM1 SMN1; SMN2 1569/4885NPC1 1933/4885RAB9A 3516/4885
US-11111214-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRM1 SMN1; SMN2 1497/4885NPC1 1885/4885RAB9A 3491/4885
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRL1 SMN1; SMN2 2450/4885NPC1 3487/4885RAB9A 2285/4885
US-10407416-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRL1 SMN1; SMN2 2450/4885NPC1 3487/4885RAB9A 2285/4885

“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.