SCHEMBL5647845

SCHEMBL5647845

Nc1ccnc(Cc2ccc(C(F)(F)F)cc2)c1N

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.42
▸ NR3C2 P08235 1/20 0.41
▸ MAOB P27338 4/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ IDO1 P14902 2/20 0.40
▸ NOS3 P29474 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ MBOAT4 Q96T53 3/20 0.39
▸ KIF11 P52732 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ MPO P05164 1/20 0.36
▸ SRD5A2 P31213 1/20 0.36

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
SCHEMBL9539887 0.81 PARP1 (0.38) NR3C2MAOBTAAR1IDO1MPO
Hydrochloric Acid SCHEMBL10428785 0.80 MAOB (0.38) NR3C2MAOBTAAR1IDO1MAPT
SCHEMBL8012674 0.78 ALDH1A1 (0.41) TAAR1IDO1MAPTMPO
SCHEMBL8392797 0.78 LTB4R (0.44) LTA4HTAAR1MAPTMPO
SCHEMBL25375372 0.76 MBOAT4 (0.39) LTA4HNR3C2MAOBTAAR1IDO1
SCHEMBL30401708 0.76 MBOAT4 (0.39) LTA4HNR3C2MAOBTAAR1IDO1
SCHEMBL25341737 0.73 MAPT (0.40) LTA4HMAOBTAAR1IDO1KIF11
SCHEMBL30816562 0.73 USP1 (0.44) —
SCHEMBL22288569 0.73 TAAR1 (0.46) LTA4HMAOBTAAR1IDO1MBOAT4
SCHEMBL1446576 0.72 CNR2 (0.51) NOS3NOS2MAPT

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-7265128-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-09-04 — — US disclosed
US-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-03-30 — — 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-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 LTA4H 157/4885NR3C2 3422/4885MAOB 1768/4885

“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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