SCHEMBL3202227

SCHEMBL3202227

O=C(CC1CCCCC1)N1CCN(c2ncccc2C(F)(F)F)CC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.64
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
HSD17B10 Q99714 1/20 0.61
HSD11B1 P28845 1/20 0.58
GAA P10253 1/20 0.57
TRPV1 Q8NER1 5/20 0.53
HRH3 Q9Y5N1 2/20 0.53
TRPA1 O75762 1/20 0.50

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
SCHEMBL3225803 0.99 RBP4 (0.65) RBP4ALDH1A1KDM4EHSD17B10HSD11B1
SCHEMBL3223950 0.89 RBP4 (0.62) RBP4ALDH1A1HSD11B1GAATRPV1
SCHEMBL3222359 0.83 HSD11B1 (0.62) RBP4HSD17B10HSD11B1GAATRPV1
SCHEMBL3213678 0.81 RBP4 (0.60) RBP4ALDH1A1HSD11B1GAATRPV1
SCHEMBL3776097 0.80 HRH3 (0.64) RBP4ALDH1A1KDM4EHSD11B1GAA
SCHEMBL16690887 0.78 RBP4 (1.00) RBP4ALDH1A1HSD17B10HSD11B1GAA
SCHEMBL3095680 0.78 HSD11B1 (0.76) RBP4HSD11B1GAATRPV1TRPA1
SCHEMBL3771811 0.78 HRH3 (0.67) RBP4ALDH1A1HSD11B1GAATRPV1
SCHEMBL3219575 0.78 GAA (0.60) RBP4ALDH1A1HSD11B1GAATRPV1
SCHEMBL6988200 0.77 HSD11B1 (0.70) RBP4HSD17B10HSD11B1GAATRPV1

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-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
CN-101400653-A 11-beta HSD1 inhibitors WYETH CORP (US) 2009-04-01 CN disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 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-20100029648-A1 11-Beta HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 RBP4 2175/4885ALDH1A1 116/4885KDM4E 1296/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 RBP4 2329/4885ALDH1A1 123/4885KDM4E 1360/4885

“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.