SCHEMBL13623803

SCHEMBL13623803

CCNCCNc1ncc(C(=O)O)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.45
FFAR2 O15552 1/20 0.42
MAPK14 Q16539 6/20 0.42
LCK P06239 2/20 0.42
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
TMPRSS15 P98073 2/20 0.39
HCAR3 P49019 2/20 0.39
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SCD O00767 1/20 0.37

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
SCHEMBL16113553 0.85 HCAR2 (0.52) HCAR2FFAR2MAPK14LCKNPC1
SCHEMBL13610843 0.84 HCAR2 (0.44) HCAR2FFAR2MAPK14LCKNPC1
SCHEMBL14047607 0.81 ATG4B (0.39) HCAR2FFAR2MAPK14NPC1CYP1A2
SCHEMBL4252915 0.81 HCAR2 (0.46) HCAR2FFAR2MAPK14LCKNPC1
SCHEMBL24035968 0.78 MAPK14 (0.42) HCAR2FFAR2MAPK14LCKNPC1
SCHEMBL21552094 0.78 TMPRSS15 (0.58) HCAR2FFAR2MAPK14LCKNPC1
SCHEMBL4249606 0.77 HCAR2 (0.41) HCAR2FFAR2MAPK14LCKKDM4E
SCHEMBL4299723 0.75 BCHE (0.43) HCAR2MAPK14LCKCYP3A4KDM4E
SCHEMBL9296920 0.74 MAPK14 (0.51) FFAR2MAPK14LCKTMPRSS15
SCHEMBL4256153 0.73 RAB9A (0.65) HCAR2FFAR2MAPK14NPC1CYP1A2

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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 HCAR2 58/4885FFAR2 28/4885MAPK14 3130/4885

“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.