SCHEMBL15967644

SCHEMBL15967644

O=C(OCc1cccc(C(F)(F)F)c1)C1CC(O)CN1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ PRKCA P17252 1/20 0.47
▸ PRKCD Q05655 1/20 0.47
▸ S1PR1 P21453 7/20 0.47
▸ S1PR5 Q9H228 7/20 0.47
▸ PDGFRA P16234 2/20 0.47
▸ MMP1 P03956 2/20 0.45
▸ MMP12 P39900 1/20 0.45
▸ GRK5 P34947 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ PRKX P51817 1/20 0.43
▸ IKBKE Q14164 1/20 0.43
▸ ADAM17 P78536 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ PRKD3 O94806 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
SCHEMBL14555953 1.00 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAOAMAOBPRKCA
SCHEMBL14486740 0.96 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAOAMAOBPRKCA
SCHEMBL15984303 0.95 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAOAMAOBPRKCA
SCHEMBL14486508 0.89 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAOAMAOBPRKCA
SCHEMBL14555893 0.89 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAOAMAOBPRKCA
SCHEMBL14556078 0.88 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAOAMAOBS1PR1
SCHEMBL15967678 0.86 S1PR5 (0.52) ALDH1A1SMN1; SMN2MAOAMAOBS1PR1
SCHEMBL14486732 0.86 S1PR5 (0.52) ALDH1A1SMN1; SMN2MAOAMAOBS1PR1
SCHEMBL16592314 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAOAMAOBPRKCA
SCHEMBL14486641 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAOAMAOBPRKCA

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 6 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-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
US-9120824-B2 Cyclic amine derivatives as EP4 receptor agonists ROTTAPHARM BIOTECH S.R.L. (IT) 2015-09-01 — — US disclosed
US-20150087626-A1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM BIOTECH S.R.L. (IT) 2015-03-26 — — 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 (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-20140243373-A1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR AGONISTS PTGER4, PTGER1, PTGIR ALDH1A1 1634/4885SMN1; SMN2 4348/4885MAOA 785/4885
US-20150087626-A1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, PTGER3 ALDH1A1 2428/4885SMN1; SMN2 4790/4885MAOA 499/4885

“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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