SCHEMBL13610833

SCHEMBL13610833

CCCNc1ccc(C(=O)C(C)(C)C)cn1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 10/20 0.70
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HCAR2 Q8TDS4 2/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
FYN P06241 1/20 0.44
EPHX2 P34913 1/20 0.43
NNMT P40261 1/20 0.41
CHRNA7 P36544 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
SCHEMBL13610808 0.87 HCAR3 (0.52) HCAR3HCAR2NNMT
SCHEMBL186474 0.83 HCAR3 (1.00) HCAR3HCAR2FYN
SCHEMBL23133523 0.81 HCAR3 (0.65) HCAR3HPGDSMN1; SMN2HCAR2ALDH1A1
SCHEMBL15934991 0.79 HCAR3 (0.66) HCAR3HCAR2NNMT
SCHEMBL856048 0.78 VNN1 (0.50) HCAR3HPGDSMN1; SMN2HCAR2ALDH1A1
SCHEMBL23682992 0.78 VNN1 (0.49) HCAR3NNMT
SCHEMBL3500410 0.74 HCAR3 (0.63) HCAR3SMN1; SMN2ALDH1A1
SCHEMBL3500691 0.74 HCAR3 (0.63) HCAR3SMN1; SMN2ALDH1A1
SCHEMBL7945395 0.74 HDAC3 (0.53) ALDH1A1FYN
SCHEMBL22047713 0.74 HCAR3 (1.00) HCAR3HCAR2FYNEPHX2

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 123/4885HPGD 3019/4885SMN1; 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.