SCHEMBL14359682

SCHEMBL14359682

COCC1(c2ccccc2)CCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.52
SLC6A4 P31645 4/20 0.50
SLC6A2 P23975 3/20 0.50
SLC6A3 Q01959 3/20 0.50
CHRM2 P08172 2/20 0.49
CHRM1 P11229 2/20 0.49
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
TACR1 P25103 4/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL19402984 0.92 MAOA (0.54) DPP4SLC6A4SLC6A2SLC6A3CHRM2
SCHEMBL2274185 0.83 TACR1 (0.64) SLC6A4TACR1
SCHEMBL8351127 0.82 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3CHRM2CHRM1
Hydrochloric Acid SCHEMBL3252159 0.82 TACR1 (0.62) SLC6A4TACR1
SCHEMBL6014572 0.81 POLB (0.45) DPP4SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL2325066 0.81 CHRM2 (0.37) DPP4SLC6A4SLC6A2SLC6A3CHRM2
SCHEMBL18494325 0.79 DPP4 (0.47) DPP4SLC6A4SLC6A2SLC6A3CHRM2
SCHEMBL5361644 0.79 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3TACR1
SCHEMBL6014687 0.77 POLB (0.48) DPP4SLC6A4SLC6A2SLC6A3CHRM2
SCHEMBL2636513 0.77 CHRM2 (0.40) DPP4SLC6A4SLC6A2SLC6A3CHRM2

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-20070265289-A1 2-Aminopyrimidine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-15 US disclosed
US-20070265289-A1 2-Aminopyrimidine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-15 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-20070265289-A1 2-Aminopyrimidine Derivative NFKBIA, IKBKG, NFKB2 DPP4 1456/4885SLC6A4 4532/4885SLC6A2 4497/4885

“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.