SCHEMBL1440697

SCHEMBL1440697

CC(C)n1c(N2CCC(C(=O)NCC3CCCCC3)CC2)nc2cc(Cl)c(Cl)cc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 6/20 0.58
▸ GAA P10253 1/20 0.54
▸ MAPT P10636 1/20 0.48
▸ EPHX2 P34913 2/20 0.47
▸ ATM Q13315 1/20 0.44
▸ CTSD P07339 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ BACE2 Q9Y5Z0 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ ACKR3 P25106 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40
▸ SKP2 Q13309 1/20 0.40
▸ CCR3 P51677 1/20 0.40

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
SCHEMBL1440613 0.99 PTGES (0.59) PTGESGAAMAPTEPHX2ATM
SCHEMBL1440322 0.91 PTGES (0.52) PTGESGAAMAPTEPHX2ATM
SCHEMBL1440337 0.85 PTGES (0.56) PTGESMAPT
SCHEMBL1439792 0.84 PTGES (0.80) PTGESEPHX2
SCHEMBL20702176 0.84 PTGES (0.54) PTGESMAPT
SCHEMBL1440663 0.84 PTGES (0.54) PTGESGAAMAPT
SCHEMBL1440225 0.83 PTGES (0.74) PTGESEPHX2
SCHEMBL1439931 0.83 PTGES (0.53) PTGESMAPT
SCHEMBL12811631 0.83 PTGES (0.53) PTGESGAAMAPTEPHX2ACKR3
SCHEMBL12811519 0.82 PTGES (0.76) PTGESEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011023812-A1 MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 (MPGES1) INHIBITORS NOVASAID AB (SE) 2011-03-03 — — WO claimed
US-20220218670-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION GESYNTA PHARMA AB (SE) 2022-07-14 — — US disclosed
US-20190038603-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION GESYNTA PHARMA AB (SE) 2019-02-07 — — US disclosed
WO-2011023812-A1 MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 (MPGES1) INHIBITORS NOVASAID AB (SE) 2011-03-03 — — WO disclosed
WO-2011023812-A1 MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 (MPGES1) INHIBITORS NOVASAID AB (SE) 2011-03-03 — — 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 (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-20220218670-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION PTGIS, PTGIR, PTGER1 PTGES 4/4885GAA 1014/4885MAPT 2141/4885
US-20190038603-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION PTGIS, PTGIR, PTGER1 PTGES 4/4885GAA 1014/4885MAPT 2141/4885

“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.

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