SCHEMBL10030145

SCHEMBL10030145

N[C@H](C(=O)N1CCCC1)[C@H](O)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.52
DPP7 Q9UHL4 12/20 0.52
DPP8 Q6V1X1 6/20 0.52
DPP9 Q86TI2 6/20 0.52
KCNH2 Q12809 3/20 0.46
KMT2A Q03164 1/20 0.43
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL10030151 1.00 DPP4 (0.52) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL2696470 1.00 DPP4 (0.52) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL10030138 1.00 DPP4 (0.52) DPP4DPP7DPP8DPP9KCNH2
Hydrochloric Acid SCHEMBL2693723 0.98 DPP4 (0.51) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL10030140 0.98 DPP4 (0.53) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL10030172 0.98 DPP4 (0.53) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL10030169 0.98 DPP4 (0.53) DPP4DPP7DPP8DPP9KCNH2
Hydrochloric Acid SCHEMBL2696011 0.98 DPP4 (0.51) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL15642790 0.98 DPP4 (0.53) DPP4DPP7DPP8DPP9KCNH2
Hydrochloric Acid SCHEMBL2696847 0.98 DPP4 (0.51) DPP4DPP7DPP8DPP9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168631-B2 3-(4-fluorophenyl)-3-hydroxy-2-amino-propionic acid amides and related compounds having analgesic activity ALLERGAN, INC. (US) 2012-05-01 US disclosed
US-8168631-B2 3-(4-fluorophenyl)-3-hydroxy-2-amino-propionic acid amides and related compounds having analgesic activity ALLERGAN, INC. (US) 2012-05-01 US disclosed
US-20090281085-A1 3-(4-FLUOROPHENYL)-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC ACTIVITY ALLERGAN, INC. 2009-11-12 US disclosed
US-20090281085-A1 3-(4-FLUOROPHENYL)-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC ACTIVITY ALLERGAN, INC. 2009-11-12 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 (1 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-20090281085-A1 3-(4-FLUOROPHENYL)-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC ACTIVITY OPRL1, OPRK1, OPRM1 DPP4 446/4885DPP7 385/4885DPP8 782/4885

“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.