SCHEMBL15967787

SCHEMBL15967787

C[C@]1(C(=O)O)CCCN1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.53
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
FAAH O00519 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
FABP4 P15090 2/20 0.45
OPRL1 P41146 1/20 0.44
HTT P42858 1/20 0.43
S1PR1 P21453 1/20 0.43
GRK5 P34947 1/20 0.43
CDK8 P49336 1/20 0.43
S1PR5 Q9H228 1/20 0.43
MAOB P27338 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL15967788 1.00 HSD11B1 (0.53) HSD11B1ALDH1A1GAAKDM4EKMT2A
SCHEMBL14556085 0.87 KCNH2 (0.51) HSD11B1ALDH1A1GAAKDM4EKMT2A
SCHEMBL15967633 0.87 KCNH2 (0.51) HSD11B1ALDH1A1GAAKDM4EKMT2A
SCHEMBL16584536 0.85 HSD11B1 (0.49) HSD11B1ALDH1A1GAAKDM4EFAAH
SCHEMBL16584538 0.85 HSD11B1 (0.49) HSD11B1ALDH1A1GAAKDM4EFAAH
SCHEMBL15665132 0.82 CYP2D6 (0.46) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL15923278 0.82 CYP2D6 (0.46) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL27952439 0.82 CYP2D6 (0.46) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL16584584 0.81 KDM4E (0.48) HSD11B1ALDH1A1GAAKDM4EFAAH
SCHEMBL16584585 0.81 KDM4E (0.48) HSD11B1ALDH1A1GAAKDM4EFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729141-B1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR AGONISTS Rottapharm Biotech Srl (IT) 2015-12-09 EP disclosed
US-9120824-B2 Cyclic amine derivatives as EP4 receptor agonists ROTTAPHARM BIOTECH S.R.L. (IT) 2015-09-01 US disclosed
US-9120824-B2 Cyclic amine derivatives as EP4 receptor agonists ROTTAPHARM BIOTECH S.R.L. (IT) 2015-09-01 US disclosed
US-9120824-B2 Cyclic amine derivatives as EP4 receptor agonists ROTTAPHARM BIOTECH S.R.L. (IT) 2015-09-01 US disclosed
US-20140243373-A1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR AGONISTS ROTTAPHARM S.P.A. (IT) 2014-08-28 US disclosed
US-20140243373-A1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR AGONISTS ROTTAPHARM S.P.A. (IT) 2014-08-28 US disclosed
US-20140243373-A1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR AGONISTS ROTTAPHARM S.P.A. (IT) 2014-08-28 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-20140243373-A1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR AGONISTS PTGER4, PTGER1, PTGIR HSD11B1 2064/4885ALDH1A1 1634/4885GAA 3451/4885

“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.