SCHEMBL4213802

SCHEMBL4213802

COc1cc(C(N)=O)ccc1NC(=O)CN1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.65
MAPT P10636 6/20 0.65
LMNA P02545 4/20 0.65
RAD52 P43351 1/20 0.63
GFER P55789 1/20 0.63
KMT2A Q03164 6/20 0.61
MEN1 O00255 5/20 0.61
TSHR P16473 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
GAA P10253 1/20 0.61
KDM4E B2RXH2 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.57
HTT P42858 1/20 0.57

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
SCHEMBL4186740 0.85 RAD52 (0.81) ALDH1A1MAPTLMNARAD52GFER
SCHEMBL13102353 0.84 LMNA (0.72) ALDH1A1MAPTLMNARAD52GFER
SCHEMBL4188747 0.82 KMT2A (0.68) ALDH1A1MAPTLMNARAD52GFER
SCHEMBL7133165 0.79 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL1644836 0.79 ALDH1A1 (0.97) ALDH1A1MAPTLMNARAD52GFER
SCHEMBL4194331 0.79 ALDH1A1 (1.00) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL1646961 0.78 ALDH1A1 (1.00) ALDH1A1MAPTLMNARAD52GFER
SCHEMBL13803997 0.77 ALDH1A1 (0.61) ALDH1A1MAPTLMNARAD52GFER
SCHEMBL4820185 0.76 RAD52 (0.67) ALDH1A1MAPTLMNARAD52GFER
SCHEMBL6947771 0.76 L3MBTL1 (0.59) ALDH1A1KMT2AMEN1TSHRL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-11-29 US disclosed
US-8263772-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-09-11 US disclosed
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 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 (2 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-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R ALDH1A1 1473/4885MAPT 2293/4885LMNA 4112/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R ALDH1A1 1267/4885MAPT 2244/4885LMNA 4299/4885

“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.