SCHEMBL5354744

SCHEMBL5354744

O=C(O)N1CC[C@@H](F)C1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.44
ATM Q13315 2/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
TACR1 P25103 1/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPK14 Q16539 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
FAAH O00519 1/20 0.40
POLB P06746 1/20 0.40
HTR2B P41595 1/20 0.39

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
SCHEMBL6325615 1.00 TACR3 (0.44) TACR3ATMPIK3C3TACR1CYP2C9
SCHEMBL17541996 0.84 TACR3 (0.43) TACR3CYP2C9CYP2C19MAPK14
SCHEMBL17542208 0.84 TACR3 (0.43) TACR3CYP2C9CYP2C19MAPK14
SCHEMBL18862948 0.84 TACR3 (0.43) TACR3CYP2C9CYP2C19MAPK14
SCHEMBL17542235 0.84 TACR3 (0.43) TACR3CYP2C9CYP2C19MAPK14
SCHEMBL17541969 0.84 TACR3 (0.43) TACR3CYP2C9CYP2C19MAPK14
SCHEMBL21461278 0.84 TACR1 (0.40) TACR3TACR1CYP2C9CYP2C19MAPK14
SCHEMBL29997914 0.83 SMN1; SMN2 (0.51) CYP2C19MEN1KMT2A
SCHEMBL23459409 0.83 GBA1 (0.43) TACR3ATMCYP2C9CYP2C19MAPK14
SCHEMBL6326488 0.83 GBA1 (0.43) TACR3ATMCYP2C9CYP2C19MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157490-B2 Phenylalanine derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-01-02 US disclosed
US-20050222140-A1 Phenylalanine derivatives as depeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2005-10-06 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-20050222140-A1 Phenylalanine derivatives as depeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 TACR3 4161/4885ATM 4737/4885PIK3C3 2516/4885

“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.