SCHEMBL13610808

SCHEMBL13610808

CC(C)(C)C(=O)c1ccc(NCCS)nc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 11/20 0.52
HCAR2 Q8TDS4 2/20 0.44
NNMT P40261 1/20 0.40
DEGS1 O15121 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
SCHEMBL13610833 0.87 HCAR3 (0.70) HCAR3HCAR2NNMT
SCHEMBL13623635 0.81 HCAR3 (0.57) HCAR3HCAR2NNMT
SCHEMBL15934991 0.78 HCAR3 (0.66) HCAR3HCAR2NNMTDEGS1
SCHEMBL856048 0.77 VNN1 (0.50) HCAR3HCAR2
SCHEMBL23682992 0.76 VNN1 (0.49) HCAR3NNMT
SCHEMBL7945395 0.73 HDAC3 (0.53)
SCHEMBL13610822 0.71 NNMT (0.37) HCAR3NNMT
SCHEMBL14805817 0.71 HCAR3 (0.68) HCAR3HCAR2
SCHEMBL9182953 0.70 MLYCD (0.54)
SCHEMBL16450938 0.70 SMN1; SMN2 (0.60) NNMT

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 HCAR3 123/4885HCAR2 58/4885NNMT 2148/4885

“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.