SCHEMBL12091647

SCHEMBL12091647

CCCCCCCCCCCCCCCC(=O)NC(CN1CCCC1)[C@@H](O)c1ccc2c(c1)OCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 14/20 1.00
▸ HTR1A P08908 1/20 1.00
▸ PTGS1 P23219 1/20 1.00
▸ OPRM1 P35372 1/20 1.00
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ TP53 P04637 2/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ NFKB1 P19838 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ MTOR P42345 1/20 0.62
▸ GMNN O75496 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ PMP22 Q01453 1/20 0.61

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
SCHEMBL4067738 1.00 UGCG (1.00) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL14069226 1.00 UGCG (1.00) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL12087925 1.00 UGCG (1.00) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL4061967 1.00 UGCG (1.00) UGCGHTR1APTGS1OPRM1MEN1
Eliglustat SCHEMBL21648647 1.00 UGCG (1.00) UGCGHTR1APTGS1OPRM1MEN1
Eliglustat SCHEMBL21252721 1.00 UGCG (1.00) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL13417492 1.00 UGCG (1.00) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL760628 1.00 UGCG (1.00) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL19628283 1.00 UGCG (1.00) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL2169484 1.00 UGCG (1.00) UGCGHTR1APTGS1OPRM1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225881-A1 METHODS OF USING AS ANALGESICS 1-BENZYL-1-HYDROXY-2, 3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYRDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. 2012-09-06 — — US disclosed
US-20100190792-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC 2010-07-29 — — US disclosed
US-20090088433-A1 METHODS OF USING AS ANALGESICS 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. 2009-04-02 — — 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-20090088433-A1 METHODS OF USING AS ANALGESICS 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS OPRL1, OPRK1, AADAT UGCG 4208/4885HTR1A 81/4885PTGS1 56/4885
US-20100190792-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS SLC1A2, SLC1A1, GRIN2A UGCG 3688/4885HTR1A 27/4885PTGS1 1418/4885
US-20120225881-A1 METHODS OF USING AS ANALGESICS 1-BENZYL-1-HYDROXY-2, 3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYRDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS OPRK1, OPRL1, HRH2 UGCG 4134/4885HTR1A 104/4885PTGS1 49/4885

“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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