SCHEMBL16169604

SCHEMBL16169604

Cc1cc(F)c(CN2CCN(C3CCNCC3)C2=O)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.51
KHK P50053 4/20 0.38
LMNA P02545 1/20 0.37
PER2 O15055 5/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
GNRHR P30968 2/20 0.33
NPY5R Q15761 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL14978753 0.85 TP53 (0.42) TP53KHKLMNAPER2NPY5R
SCHEMBL16169609 0.84 TP53 (0.54) TP53KHKLMNAPER2HTR2A
SCHEMBL14978022 0.80 TP53 (0.38) TP53KHKPER2
SCHEMBL16169603 0.79 TP53 (0.59) TP53MAPT
Trifluoroacetic Acid SCHEMBL16163152 0.79 TP53 (0.37) TP53KHKPER2
SCHEMBL14978693 0.74 TP53 (0.41) TP53KHKLMNAPER2NPY5R
SCHEMBL16172053 0.73 TP53 (0.42) TP53KHKLMNAPER2MAPT
SCHEMBL2855094 0.73 TP53 (0.59) TP53KHKPER2
SCHEMBL14978752 0.71 BTK (0.41) TP53LMNA
SCHEMBL21151926 0.70 TP53 (0.43) TP53KHKPER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309226-A1 PIPERIDINYL-SUBSTITUTED CYCLIC UREAS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2014-10-16 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-20140309226-A1 PIPERIDINYL-SUBSTITUTED CYCLIC UREAS AS GPR119 MODULATORS GPR119, UTS2R, GPR139 TP53 4454/4885KHK 3697/4885LMNA 3409/4885

“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.