SCHEMBL3044303

SCHEMBL3044303

CCOC(=O)Cn1cc(C(=O)N(CCC(C)C)CCC(C)C)ccc1=N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.36
LPAR5 Q9H1C0 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
F7 P08709 1/20 0.34
KMT2A Q03164 1/20 0.33
MITF O75030 1/20 0.33
PIN1 Q13526 1/20 0.33
PIN4 Q9Y237 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
MC4R P32245 2/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 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
Bromide SCHEMBL3044300 0.99 LPAR1 (0.36) LPAR1LPAR5POLBL3MBTL1ALDH1A1
SCHEMBL13034663 0.79 F2 (0.36) LPAR1LPAR5F2F10F7
SCHEMBL16867095 0.73 ALDH1A1 (0.48) POLBL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL3045604 0.72 PDE4A (0.45) LPAR1LPAR5ALDH1A1MC4RKDM4E
SCHEMBL14821764 0.71 POLB (0.46) POLBL3MBTL1ALDH1A1MAPTLMNA
Bromide SCHEMBL7918168 0.70 PPARG (0.44) POLBL3MBTL1ALDH1A1MAPTLMNA
Bromide SCHEMBL11028063 0.70 POLB (0.45) POLBL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL22074459 0.70 POLB (0.47) POLBL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL3045449 0.70 KDM4E (0.51) POLBL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL8045803 0.68 F2 (0.40) LPAR1LPAR5F2F10F7

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-20100324036-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-12-23 US disclosed
WO-2010034500-A1 SUBSTITUTED IMIDAZOPYRIDINE, IMIDAZOPYRAZINE, IMIDAZOPYRIDAZINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-04-01 WO disclosed
EP-2168965-A1 Substituted imidazopyridine, imidazopyrazine, imidazopyridazine and imidazopyrimidine derivatives as melanocortin-4 receptor antagonists Santhera Pharmaceuticals (Schweiz) AG (CH) 2010-03-31 EP 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-20100324036-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS MC4R, MC5R, MC3R LPAR1 727/4885LPAR5 586/4885POLB 3767/4885

“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.