SCHEMBL14353181

SCHEMBL14353181

O=C(O)NCCc1ccc(-c2ccc(=O)[nH]c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ LMNA P02545 1/20 0.50
▸ ROCK2 O75116 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ PLA2G2A P14555 1/20 0.42
▸ OPRM1 P35372 3/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ IL1RN P18510 1/20 0.40
▸ ERAP2 Q6P179 1/20 0.40
▸ ERAP1 Q9NZ08 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL1728418 0.79 CNR1 (0.59) MEN1KMT2ALMNACNR1IL1RN
SCHEMBL23111915 0.76 MCHR1 (0.50) L3MBTL1MEN1KMT2AROCK2CNR1
SCHEMBL19466166 0.76 ABCC4 (0.58) LMNA
SCHEMBL2774874 0.76 CNR1 (0.64) L3MBTL1LMNACNR1RAB9AMCHR1
SCHEMBL23828908 0.74 ROCK2 (0.62) ROCK2RAB9AHIF1A
SCHEMBL14466731 0.74 MAOB (0.48) L3MBTL1KMT2AKDM4E
SCHEMBL16518818 0.74 MAPT (0.43) LMNARAB9A
SCHEMBL22501787 0.74 L3MBTL1 (0.45) L3MBTL1MEN1KMT2ALMNAROCK2
SCHEMBL21904925 0.72 PDPK1 (0.53) L3MBTL1ERAP2ERAP1
Hydrochloric Acid SCHEMBL14352973 0.72 MAOB (0.52) L3MBTL1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9775840-B2 Peripherally acting opioid compounds ALKERMES, INC. (US) 2017-10-03 — — US disclosed
EP-2725908-B1 PERIPHERALLY ACTING OPIOID COMPOUNDS ALKERMES INC (US) 2017-05-31 — — EP disclosed
US-20170007609-A1 PERIPHERALLY ACTING OPIOID COMPOUNDS ALKERMES INC (US) 2017-01-12 — — US disclosed
US-9415045-B2 Peripherally acting opioid compounds ALKERMES, INC. (US) 2016-08-16 — — US disclosed
US-20150196550-A1 Peripherally Acting Opioid Compounds ALKERMES INC (US) 2015-07-16 — — US disclosed
US-8962646-B2 Peripherally acting opioid compounds ALKERMES, INC. (US) 2015-02-24 — — US disclosed
EP-2725908-A1 PERIPHERALLY ACTING OPIOID COMPOUNDS Alkermes, Inc. (US) 2014-05-07 — — EP disclosed
WO-2013003720-A1 PERIPHERALLY ACTING OPIOID COMPOUNDS ALKERMES, INC. (US) 2013-01-03 — — WO disclosed
US-20130005755-A1 Peripherally Acting Opioid Compounds ALKERMES, INC. 2013-01-03 — — 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 (3 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-20150196550-A1 Peripherally Acting Opioid Compounds OPRM1, OPRK1, OPRL1 L3MBTL1 3815/4885MEN1 4656/4885KMT2A 3634/4885
US-20170007609-A1 PERIPHERALLY ACTING OPIOID COMPOUNDS OPRM1, OPRK1, OPRL1 L3MBTL1 3815/4885MEN1 4656/4885KMT2A 3634/4885
US-20130005755-A1 Peripherally Acting Opioid Compounds OPRM1, OPRK1, OPRL1 L3MBTL1 3815/4885MEN1 4656/4885KMT2A 3634/4885

“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.

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