SCHEMBL1911518

SCHEMBL1911518

CC(C)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.66
TSHR P16473 1/20 0.66
HSD17B10 Q99714 1/20 0.66
KDM4E B2RXH2 3/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 4/20 0.46
GAA P10253 3/20 0.46
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL15216104 0.83 HSD17B10 (0.48) ALOX15TSHRHSD17B10KDM4EALDH1A1
SCHEMBL738198 0.82 SMN1; SMN2 (0.54) ALOX15TSHRHSD17B10ALDH1A1GAA
SCHEMBL1911488 0.82 ALOX15 (0.62) ALOX15TSHRHSD17B10KDM4ELMNA
SCHEMBL17547266 0.81 TSHR (0.72) ALOX15TSHRHSD17B10KDM4ELMNA
SCHEMBL16216045 0.81 HSD17B10 (0.71) ALOX15TSHRHSD17B10KDM4ELMNA
SCHEMBL31717947 0.80 HSD17B10 (1.00) ALOX15TSHRHSD17B10KDM4ELMNA
SCHEMBL26981196 0.80 HSD17B10 (0.91) ALOX15TSHRHSD17B10KDM4ELMNA
SCHEMBL13912231 0.80 SMN1; SMN2 (0.58) ALOX15TSHRHSD17B10ALDH1A1GAA
SCHEMBL12226466 0.80 HSD17B10 (0.69) ALOX15TSHRHSD17B10KDM4ELMNA
SCHEMBL14218697 0.80 TSHR (0.69) ALOX15TSHRHSD17B10KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC ALOX15 326/4885TSHR 2009/4885HSD17B10 213/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC ALOX15 326/4885TSHR 2009/4885HSD17B10 213/4885

“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.