SCHEMBL13618874

SCHEMBL13618874

O=C(N[C@@H](c1ccc(CCC2CC2)cc1)C1CCCCC1)c1cc(C2CC2)cc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
KCNK3 O14649 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
DGAT1 O75907 1/20 0.36
TACR3 P29371 2/20 0.35
LMNA P02545 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
SSTR3 P32745 1/20 0.34

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
SCHEMBL13618883 0.99 PDE2A (0.39) PDE2AHSD17B1HSD17B2KCNK3ALDH1A1
SCHEMBL13618891 0.84 NPC1 (0.35) PDE2AALDH1A1MEN1KMT2ADGAT1
SCHEMBL13618873 0.83 MEN1 (0.33) ALDH1A1MEN1KMT2ADGAT1
SCHEMBL13618881 0.81 FFAR1 (0.34) ALDH1A1MEN1KMT2ADGAT1
SCHEMBL13618876 0.75 HSD17B1 (0.49) HSD17B1HSD17B2ALDH1A1MEN1MAPK1
SCHEMBL13618878 0.75 HSD17B1 (0.52) HSD17B1HSD17B2ALDH1A1MEN1MAPK1
SCHEMBL13618872 0.75 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MEN1MAPK1
SCHEMBL13618885 0.74 HSD17B1 (0.48) HSD17B1HSD17B2KCNK3ALDH1A1MEN1
SCHEMBL13618886 0.74 HSD17B1 (0.50) HSD17B1HSD17B2ALDH1A1MEN1MAPK1
SCHEMBL13618880 0.74 HSD17B1 (0.43) HSD17B1HSD17B2KCNK3ALDH1A1MEN1

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-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 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-20090286765-A1 Therapeutic Agents GRIA1, GRIN1, GLRA1 PDE2A 2670/4885HSD17B1 1172/4885HSD17B2 1612/4885

“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.