SCHEMBL2020441

SCHEMBL2020441

OC12CC3CC(C1)C(N1CCN(c4cccc(C(F)(F)F)c4)CC1)C(C3)C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.53
▸ ALDH1A1 P00352 5/20 0.51
▸ SIGMAR1 Q99720 2/20 0.47
▸ HTR3E A5X5Y0 1/20 0.47
▸ HTR3B O95264 1/20 0.47
▸ HTR1D P28221 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HTR3A P46098 1/20 0.47
▸ HTR3D Q70Z44 1/20 0.47
▸ HTR3C Q8WXA8 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ POLB P06746 1/20 0.46

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
SCHEMBL13698456 0.79 ALDH1A1 (0.53) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL13698443 0.75 ALDH1A1 (0.57) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL28226906 0.75 ALDH1A1 (0.77) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL23479988 0.70 ALDH1A1 (0.47) HSD11B1ALDH1A1SMN1; SMN2MAPT
SCHEMBL23466880 0.70 ALDH1A1 (0.47) HSD11B1ALDH1A1SMN1; SMN2MAPT
SCHEMBL23480073 0.70 ALDH1A1 (0.47) HSD11B1ALDH1A1SMN1; SMN2MAPT
SCHEMBL29851144 0.70 ALDH1A1 (0.47) HSD11B1ALDH1A1SMN1; SMN2MAPT
SCHEMBL74812 0.70 HSD11B1 (0.51) HSD11B1
SCHEMBL11150538 0.70 ALDH1A1 (0.50) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL26706279 0.70 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2KMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 — — US claimed

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-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885ALDH1A1 58/4885SIGMAR1 1227/4885

“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.

Send feedback