SCHEMBL4869279

SCHEMBL4869279

O=C([C@@H]1Cc2ccccc2CN1)N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.55
CYP3A4 P08684 1/20 0.55
KMT2A Q03164 2/20 0.54
DPP4 P27487 3/20 0.52
FAP Q12884 1/20 0.52
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HDAC2 Q92769 1/20 0.49
ARG1 P05089 1/20 0.46
ARG2 P78540 1/20 0.46
SMYD3 Q9H7B4 1/20 0.46
PREP P48147 6/20 0.45
MEN1 O00255 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 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
SCHEMBL8306650 1.00 ROCK2 (0.55) ROCK2CYP3A4KMT2ADPP4FAP
SCHEMBL8312865 0.98 ROCK2 (0.56) ROCK2CYP3A4KMT2ADPP4FAP
SCHEMBL4774911 0.98 ROCK2 (0.56) ROCK2CYP3A4KMT2ADPP4FAP
SCHEMBL17782671 0.87 ROCK2 (0.57) ROCK2CYP3A4KMT2ADPP4FAP
SCHEMBL25381761 0.85 ROCK2 (0.53) ROCK2CYP3A4KMT2ADPP4FAP
SCHEMBL25318395 0.85 ROCK2 (0.53) ROCK2CYP3A4KMT2ADPP4FAP
SCHEMBL31491459 0.85 ROCK2 (0.53) ROCK2CYP3A4KMT2ADPP4FAP
SCHEMBL25377868 0.84 ROCK2 (0.52) ROCK2CYP3A4KMT2ADPP4FAP
SCHEMBL25375448 0.84 ROCK2 (0.52) ROCK2CYP3A4KMT2ADPP4FAP
Hydrochloric Acid SCHEMBL4785421 0.84 ROCK2 (0.52) ROCK2CYP3A4KMT2ADPP4FAP

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-7388019-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2008-06-17 US disclosed
US-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-04-06 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-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 ROCK2 4469/4885CYP3A4 276/4885KMT2A 2548/4885

“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.