SCHEMBL13610932

SCHEMBL13610932

CCCCCCCCCCCCCCCn1c(SCC(=O)C(C)(C)C)nc2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.81
L3MBTL1 Q9Y468 2/20 0.69
SMN1; SMN2 Q16637 1/20 0.61
PTGDR2 Q9Y5Y4 3/20 0.57
NPSR1 Q6W5P4 3/20 0.53
SAE1 Q9UBE0 1/20 0.53
UBA2 Q9UBT2 1/20 0.53
TLR8 Q9NR97 2/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.51
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.49
GLA P06280 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL4296199 0.87 L3MBTL1 (0.91) ALDH1A1L3MBTL1SMN1; SMN2PTGDR2NPSR1
SCHEMBL13623674 0.86 ALDH1A1 (0.80) ALDH1A1L3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL4295684 0.84 L3MBTL1 (0.69) ALDH1A1L3MBTL1SMN1; SMN2PTGDR2NPSR1
SCHEMBL13610834 0.81 ALDH1A1 (0.59) ALDH1A1L3MBTL1SMN1; SMN2PTGDR2NPSR1
SCHEMBL5115401 0.73 PTGDR2 (1.00) L3MBTL1PTGDR2POLB
SCHEMBL5120272 0.73 PTGDR2 (1.00) L3MBTL1PTGDR2POLB
SCHEMBL10834022 0.72 TLR8 (0.68) ALDH1A1SMN1; SMN2NPSR1SAE1UBA2
SCHEMBL226014 0.72 TLR8 (0.66) ALDH1A1SMN1; SMN2NPSR1SAE1UBA2
SCHEMBL28372897 0.72 TLR8 (0.64) ALDH1A1SMN1; SMN2NPSR1SAE1UBA2
SCHEMBL28378368 0.72 TLR8 (0.64) ALDH1A1SMN1; SMN2NPSR1SAE1UBA2

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 ALDH1A1 2368/4885L3MBTL1 4358/4885SMN1; SMN2 2847/4885

“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.