SCHEMBL3749435

SCHEMBL3749435

CCOC(=O)C(C)(C)C1CC2(CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
ALDH1A1 P00352 6/20 0.46
APP P05067 3/20 0.44
HSD11B1 P28845 1/20 0.43
PKM P14618 4/20 0.41
NPC1 O15118 1/20 0.41
PKLR P30613 1/20 0.41
RAB9A P51151 1/20 0.41
CHRM5 P08912 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL3747454 0.90 POLB (0.48) LMNAALDH1A1APPHSD11B1PKM
SCHEMBL3757100 0.88 HSD11B1 (0.52) LMNAALDH1A1HSD11B1PKMNPC1
SCHEMBL3744663 0.77 HSD11B1 (0.48) LMNAALDH1A1HSD11B1CYP2D6CYP2C19
SCHEMBL3749431 0.74 APP (0.45) LMNAALDH1A1APPHSD11B1PKM
SCHEMBL3742443 0.73 KMT2A (0.43) LMNAALDH1A1PKMRAB9ACYP2C19
SCHEMBL3752153 0.72 POLB (0.50) LMNAALDH1A1APPHSD11B1PKM
SCHEMBL3742454 0.68 HSD11B1 (0.44) LMNAALDH1A1HSD11B1PKM
SCHEMBL7510989 0.67 KMT2A (0.82) LMNAALDH1A1PKM
SCHEMBL3749402 0.67 CYP2D6 (0.43) ALDH1A1HSD11B1CYP3A4CYP2D6CYP2C19
SCHEMBL3744641 0.66 HSD11B1 (0.47) LMNAALDH1A1HSD11B1CYP2D6CYP2C19

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-20100298368-A1 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-11-25 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-20100298368-A1 ANTAGONISTS OF PGD2 RECEPTORS PTGDR2, PTGDR, LTB4R2 LMNA 4192/4885ALDH1A1 2555/4885APP 4025/4885

“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.