SCHEMBL3842976

SCHEMBL3842976

CC1c2nnc(C(F)(F)F)n2CCCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.47
DPP8 Q6V1X1 3/20 0.46
PARP1 P09874 2/20 0.40
PARP2 Q9UGN5 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
P2RX7 Q99572 3/20 0.39
TACR3 P29371 8/20 0.38
TACR2 P21452 6/20 0.38
TACR1 P25103 5/20 0.38
KCNH2 Q12809 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5935850 0.76 DPP4 (0.48) DPP4DPP8PARP1PARP2PARP3
SCHEMBL3840704 0.71 DPP4 (0.91) DPP4DPP8DPP7
SCHEMBL24493479 0.69 DPP4 (0.42) DPP4DPP8PARP1PARP2PARP3
SCHEMBL3868870 0.67 TACR3 (0.39) DPP4DPP8PARP1PARP2PARP3
Hydrochloric Acid SCHEMBL3842582 0.66 TACR3 (0.38) DPP4DPP8PARP1PARP2PARP3
SCHEMBL14970386 0.66 DPP4 (0.53) DPP4DPP8PARP1PARP2PARP3
SCHEMBL5231477 0.65 TACR3 (0.46) DPP4DPP8PARP1PARP2PARP3
SCHEMBL4819589 0.64 DPP4 (0.55) DPP4DPP8P2RX7DPP7
SCHEMBL16790052 0.63 DPP4 (0.32) DPP4DPP8DPP7
SCHEMBL3135974 0.62 DPP4 (0.55) DPP4DPP8DPP7

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
EP-1624874-B1 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2009-11-04 EP disclosed
US-7560455-B2 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2009-07-14 US disclosed
US-20060258646-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-11-16 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-20060258646-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885PARP1 2094/4885

“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.