SCHEMBL16584584

SCHEMBL16584584

C[C@]1(C(=O)O)CCCCN1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HSD11B1 P28845 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
FAAH O00519 1/20 0.41
KCNH2 Q12809 2/20 0.41
CACNA1G O43497 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
OPRL1 P41146 1/20 0.41
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
PTGER4 P35408 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
SCHEMBL16584585 1.00 KDM4E (0.48) KDM4EALDH1A1HSD11B1HRH3L3MBTL1
SCHEMBL16584536 0.96 HSD11B1 (0.49) KDM4EALDH1A1HSD11B1HRH3L3MBTL1
SCHEMBL16584538 0.96 HSD11B1 (0.49) KDM4EALDH1A1HSD11B1HRH3L3MBTL1
SCHEMBL14486802 0.84 HRH3 (0.47) KDM4EALDH1A1HSD11B1HRH3L3MBTL1
SCHEMBL14486801 0.84 HRH3 (0.47) KDM4EALDH1A1HSD11B1HRH3L3MBTL1
SCHEMBL16589466 0.84 HRH3 (0.43) KDM4EALDH1A1HRH3L3MBTL1POLB
SCHEMBL16584673 0.82 KCNH2 (0.48) KDM4EALDH1A1HSD11B1HRH3L3MBTL1
SCHEMBL14556030 0.82 KCNH2 (0.48) KDM4EALDH1A1HSD11B1HRH3L3MBTL1
SCHEMBL15967788 0.81 HSD11B1 (0.53) KDM4EALDH1A1HSD11B1GAAFAAH
SCHEMBL15967787 0.81 HSD11B1 (0.53) KDM4EALDH1A1HSD11B1GAAFAAH

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-9181279-B2 Cyclic amine derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2015-11-10 US disclosed
EP-2729445-B1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm Biotech Srl (IT) 2015-10-21 EP disclosed
EP-2729445-B1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm Biotech Srl (IT) 2015-10-21 EP disclosed
US-20150087626-A1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM BIOTECH S.R.L. (IT) 2015-03-26 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-20150087626-A1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, PTGER3 KDM4E 428/4885ALDH1A1 2428/4885HSD11B1 4308/4885

“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.