SCHEMBL13623629

SCHEMBL13623629

CCC(=O)Cn1ccnc1S

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPG P10696 4/20 0.35
PLAA Q9Y263 2/20 0.35
GRIN2B Q13224 6/20 0.35
ALPL P05186 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALPI P09923 1/20 0.34
GFER P55789 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPA1 O75762 1/20 0.33
NOS1 P29475 1/20 0.33
FDPS P14324 1/20 0.32
TLR8 Q9NR97 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
SCHEMBL4298080 0.80 ALPL (0.51) ALPGPLAAALPLSMN1; SMN2ALPI
SCHEMBL4288735 0.79 FPR2 (0.40) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL13610873 0.78 FPR2 (0.47) ALDH1A1POLBKMT2A
SCHEMBL13610791 0.77 GRIN2B (0.39) ALPGPLAAGRIN2BALPLSMN1; SMN2
SCHEMBL995900 0.74
SCHEMBL998200 0.71
SCHEMBL17153769 0.69 ESR1 (0.57) SMN1; SMN2POLBKMT2A
SCHEMBL996895 0.68 ALDH1A1 (0.63) ALDH1A1POLBKMT2ATLR8
SCHEMBL9726075 0.68 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5048582 0.68 ALPG (0.38) ALPGPLAAALPLSMN1; SMN2ALDH1A1

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 ALPG 1942/4885PLAA 445/4885GRIN2B 628/4885

“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.