SCHEMBL16592314

SCHEMBL16592314

O=C(OCc1cccc(C(F)(F)F)c1)[C@H]1C[C@H](F)CN1Cc1cccc(CF)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MAOA P21397 5/20 0.44
▸ MAOB P27338 5/20 0.44
▸ S1PR1 P21453 7/20 0.43
▸ S1PR5 Q9H228 7/20 0.43
▸ PDGFRA P16234 2/20 0.43
▸ PRKCA P17252 1/20 0.43
▸ PRKCD Q05655 1/20 0.43
▸ KDM2B Q8NHM5 1/20 0.42
▸ MMP1 P03956 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ PRKX P51817 1/20 0.40
▸ IKBKE Q14164 1/20 0.40
▸ PTGER4 P35408 1/20 0.40
▸ GRK5 P34947 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ PRKD3 O94806 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
SCHEMBL14555893 0.95 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAOAMAOBS1PR1
SCHEMBL14486508 0.95 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAOAMAOBS1PR1
SCHEMBL15984303 0.90 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAOAMAOBS1PR1
SCHEMBL15967703 0.90 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAOAMAOBS1PR1
SCHEMBL14486641 0.90 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAOAMAOBS1PR1
SCHEMBL15967644 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAOAMAOBS1PR1
SCHEMBL14555953 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAOAMAOBS1PR1
SCHEMBL14556031 0.82 S1PR5 (0.52) ALDH1A1SMN1; SMN2MAOAMAOBS1PR1
SCHEMBL14486475 0.82 S1PR5 (0.52) ALDH1A1SMN1; SMN2MAOAMAOBS1PR1
SCHEMBL14486740 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAOAMAOBS1PR1

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 2 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
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 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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