SCHEMBL16758741

SCHEMBL16758741

COCCOCCOCCOCCOCCOc1ccccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
ALDH1A1 P00352 7/20 0.55
TDP1 Q9NUW8 2/20 0.50
ADRA2B P18089 1/20 0.50
PTGS1 P23219 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NCF1 P14598 7/20 0.45
CYBB P04839 1/20 0.45
NOX5 Q96PH1 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.43
PTK2B Q14289 1/20 0.43

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
SCHEMBL10584222 1.00 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL2545268 1.00 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL1029928 0.94 CYP1A2 (0.66) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL29684634 0.94 CYP1A2 (0.66) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL17537502 0.90 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL13531826 0.90 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL13435256 0.90 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL8869388 0.87 ALDH1A1 (0.53) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL5349206 0.86 L3MBTL1 (0.61) ALDH1A1TDP1L3MBTL1LMNAKDM4E
SCHEMBL4101620 0.86 L3MBTL1 (0.61) ALDH1A1TDP1L3MBTL1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865186-B2 Opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2020-12-15 US disclosed
EP-3074379-B1 OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS INDIA PVT LTD (IN) 2019-06-26 EP disclosed
US-20180362468-A1 OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2018-12-20 US disclosed
US-10081602-B2 Opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2018-09-25 US disclosed
US-20170253565-A1 OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2017-09-07 US disclosed
US-9688638-B2 Opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2017-06-27 US disclosed
US-9688638-B2 Opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2017-06-27 US disclosed
US-20170022167-A1 OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2017-01-26 US disclosed
US-20170022167-A1 OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2017-01-26 US disclosed
EP-3074379-A1 OPIOID AGONISTS AND USES THEREOF Nektar Therapeutics (India) Pvt. Ltd. (IN) 2016-10-05 EP disclosed
WO-2015079459-A1 OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS (INDIA) PVT.LTD. (IN) 2015-06-04 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 (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-20170253565-A1 OPIOID AGONISTS AND USES THEREOF OPRM1, OPRK1, OPRD1 CYP1A2 162/4885CYP2C9 288/4885CYP2C19 277/4885
US-20170022167-A1 OPIOID AGONISTS AND USES THEREOF OPRM1, OPRK1, OPRD1 CYP1A2 162/4885CYP2C9 288/4885CYP2C19 277/4885
US-20180362468-A1 OPIOID AGONISTS AND USES THEREOF OPRM1, OPRK1, OPRD1 CYP1A2 162/4885CYP2C9 288/4885CYP2C19 277/4885
US-10865186-B2 Opioid agonists and uses thereof OPRM1, OPRK1, OPRD1 CYP1A2 162/4885CYP2C9 288/4885CYP2C19 277/4885
US-10081602-B2 Opioid agonists and uses thereof OPRM1, OPRK1, OPRD1 CYP1A2 162/4885CYP2C9 288/4885CYP2C19 277/4885

“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.