SCHEMBL381500

SCHEMBL381500

CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1C[C@@H]2O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.52
GPR119 Q8TDV5 2/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.45
PDK2 Q15119 1/20 0.45
NAMPT P43490 3/20 0.44
ATM Q13315 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MCHR2 Q969V1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 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
SCHEMBL29993455 1.00 KDM1A (0.52) KDM1AGPR119TSHRALOX15MAPK1
SCHEMBL6959970 1.00 KDM1A (0.52) KDM1AGPR119TSHRALOX15MAPK1
SCHEMBL6970469 1.00 KDM1A (0.52) KDM1AGPR119TSHRALOX15MAPK1
SCHEMBL6968834 1.00 KDM1A (0.52) KDM1AGPR119TSHRALOX15MAPK1
SCHEMBL7885006 0.88 KDM1A (0.59) KDM1AGPR119TSHRALOX15MAPK1
SCHEMBL7886359 0.88 KDM1A (0.59) KDM1AGPR119TSHRALOX15MAPK1
SCHEMBL7882072 0.88 KDM1A (0.59) KDM1AGPR119TSHRALOX15MAPK1
SCHEMBL31415666 0.84 MEN1 (0.46) KDM1A
SCHEMBL31758554 0.84 GPR119 (0.41) KDM1AGPR119TSHRALOX15HDAC1
SCHEMBL14272817 0.83 KDM1A (0.48) KDM1AGPR119TSHRALOX15MAPK1

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-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 KDM1A 1062/4885GPR119 354/4885TSHR 573/4885

“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.