SCHEMBL16216045

SCHEMBL16216045

CC(C)CN1CCN(C(=O)CN2CCOCC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.71
ALOX15 P16050 1/20 0.71
TSHR P16473 1/20 0.71
PIK3CD O00329 1/20 0.54
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 6/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 2/20 0.45
CYP1A2 P05177 1/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL31717947 0.84 HSD17B10 (1.00) HSD17B10ALOX15TSHRALDH1A1KDM4E
SCHEMBL26270866 0.83 HSD17B10 (0.67) HSD17B10ALOX15TSHRPIK3CDALDH1A1
SCHEMBL13043899 0.82 HSD17B10 (0.73) HSD17B10ALOX15TSHRALDH1A1KDM4E
SCHEMBL12141786 0.81 HSD17B10 (0.79) HSD17B10ALOX15TSHRALDH1A1KDM4E
SCHEMBL1911518 0.81 ALOX15 (0.66) HSD17B10ALOX15TSHRALDH1A1KDM4E
SCHEMBL26981196 0.80 HSD17B10 (0.91) HSD17B10ALOX15TSHRALDH1A1KDM4E
SCHEMBL13779937 0.80 HSD17B10 (0.81) HSD17B10ALOX15TSHRALDH1A1KDM4E
SCHEMBL20970842 0.79 HSD17B10 (0.69) HSD17B10ALOX15TSHRALDH1A1KDM4E
SCHEMBL1911488 0.79 ALOX15 (0.62) HSD17B10ALOX15TSHRALDH1A1KDM4E
SCHEMBL200033 0.78 USP2 (0.58) PIK3CDALDH1A1KDM4ELMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416132-B2 Substituted imidazo[1,2-b]pyridazines as protein kinase inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-20140329807-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS, INC. (US) 2014-11-06 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-20140329807-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 HSD17B10 4466/4885ALOX15 4678/4885TSHR 1193/4885

“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.