SCHEMBL13623622

SCHEMBL13623622

CCC(=O)CSc1nc2ccccc2n1CC

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.67
ALDH1A1 P00352 6/20 0.62
MAPT P10636 3/20 0.61
MEN1 O00255 2/20 0.61
HTT P42858 2/20 0.61
KMT2A Q03164 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 1/20 0.61
L3MBTL1 Q9Y468 5/20 0.60
POLB P06746 1/20 0.60
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
AR P10275 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PTGDR2 Q9Y5Y4 1/20 0.53

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
SCHEMBL13623674 0.84 ALDH1A1 (0.80) LMNAALDH1A1MAPTMEN1HTT
SCHEMBL12203800 0.81 MAPT (0.65) LMNAALDH1A1MAPTMEN1HTT
SCHEMBL7930198 0.77 MAPT (0.78) LMNAALDH1A1MAPTMEN1HTT
SCHEMBL12195242 0.76 HTT (0.56) LMNAALDH1A1MAPTMEN1HTT
SCHEMBL11887749 0.74 PTGDR2 (0.75) ALDH1A1MEN1KMT2AL3MBTL1PTGDR2
SCHEMBL5118599 0.73 PTGDR2 (0.76) ALDH1A1MEN1KMT2ANPC1POLB
SCHEMBL13768080 0.73 ALDH1A1 (0.63) LMNAALDH1A1MAPTMEN1HTT
SCHEMBL4296199 0.73 L3MBTL1 (0.91) LMNAALDH1A1MAPTMEN1HTT
SCHEMBL14259848 0.72 POLB (0.56) LMNAALDH1A1MAPTHTTKMT2A
SCHEMBL5115286 0.71 PTGDR2 (0.85) MEN1KMT2APOLBPTGDR2

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 LMNA 2982/4885ALDH1A1 2368/4885MAPT 4286/4885

“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.