SCHEMBL3490723

SCHEMBL3490723

CNC(=O)NNC(=O)CCc1ccsc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
OPRD1 P41143 3/20 0.44
TAAR1 Q96RJ0 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
OPRK1 P41145 2/20 0.39
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL6172268 0.77 SLC1A3 (0.43) OPRM1OPRD1TAAR1POLBALDH1A1
SCHEMBL7331954 0.76 TAAR1 (0.54) OPRM1OPRD1TAAR1KMT2APOLB
SCHEMBL4461408 0.74 OPRM1 (0.49) OPRM1OPRD1TAAR1KMT2APOLB
SCHEMBL3353073 0.73 ALDH1A1 (0.53) OPRM1OPRD1TAAR1KMT2AALDH1A1
SCHEMBL13870633 0.72 GRM5 (0.48) OPRM1OPRD1NPC1RAB9ATDP1
SCHEMBL8353449 0.72 RAB9A (0.58) KMT2APOLBALDH1A1NPC1RAB9A
SCHEMBL599876 0.71 KEAP1 (0.54) OPRM1OPRD1TAAR1OPRK1DRD2
SCHEMBL12530212 0.70 IAPP (0.50) OPRM1OPRD1TAAR1KMT2AALDH1A1
SCHEMBL8352443 0.70 TAAR1 (0.50) OPRM1OPRD1TAAR1KMT2APOLB
Hydrochloric Acid SCHEMBL27428710 0.70 KEAP1 (0.52) OPRM1OPRD1TAAR1OPRK1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534693-A2 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2005-06-01 EP claimed
WO-2004022523-A2 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2004-03-18 WO claimed
US-20100048590-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS GAILUNAS ANDREA 2010-02-25 US disclosed
US-7589094-B2 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds ELAN PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20060194817-A1 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds ELAN PHARMACEUTICALS, INC. 2006-08-31 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 (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-20060194817-A1 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds BACE1, APP, BACE2 OPRM1 3676/4885OPRD1 2074/4885TAAR1 2592/4885
US-20100048590-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS BACE1, APP, BACE2 OPRM1 3676/4885OPRD1 2074/4885TAAR1 2592/4885

“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.