SCHEMBL16624057

SCHEMBL16624057

CC(C)(C)OC(=O)N1CCc2cc(OC(F)F)ccc2C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.67
NR1H2 P55055 1/20 0.59
ABHD6 Q9BV23 5/20 0.57
ESR1 P03372 2/20 0.53
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.44
HDAC1 Q13547 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 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
SCHEMBL3872624 0.90 ESR2 (0.52) ESR2NR1H2ABHD6ESR1MAPK1
SCHEMBL15755296 0.86 ESR2 (0.72) ESR2NR1H2ABHD6ESR1MAPT
SCHEMBL29368645 0.86 ESR2 (0.72) ESR2NR1H2ABHD6ESR1MAPT
SCHEMBL29838642 0.84 ESR2 (0.69) ESR2NR1H2ABHD6ESR1MAPT
SCHEMBL1265523 0.84 NR1H2 (0.67) ESR2NR1H2ABHD6ESR1MAPT
SCHEMBL14515071 0.84 ESR2 (0.62) ESR2NR1H2ABHD6ESR1MAPT
SCHEMBL1188340 0.84 ESR2 (0.53) ESR2NR1H2ABHD6MAPTKDM4E
SCHEMBL5775145 0.83 ESR2 (0.68) ESR2NR1H2ABHD6ESR1MAPT
SCHEMBL30548173 0.83 ESR2 (0.65) ESR2NR1H2ABHD6ESR1MAPT
SCHEMBL587484 0.83 ESR2 (0.65) ESR2NR1H2ABHD6ESR1MAPT

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-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
EP-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP disclosed
EP-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP disclosed
WO-2015050212-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日産化学工業株式会社 2015-04-09 WO 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-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H ESR2 3752/4885NR1H2 2325/4885ABHD6 4475/4885

“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.