SCHEMBL18593545

SCHEMBL18593545

O=C(O)C1CN(c2cccc(-c3cc(C(F)(F)F)ccc3CCc3ccccc3)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 7/20 0.53
S1PR1 P21453 7/20 0.53
GRK5 P34947 1/20 0.53
CDK8 P49336 1/20 0.53
NOTUM Q6P988 3/20 0.51
SIGMAR1 Q99720 2/20 0.43
PRKX P51817 1/20 0.43
IKBKE Q14164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDGFRA P16234 2/20 0.42
PIM1 P11309 1/20 0.42
PRKD3 O94806 1/20 0.42
CDK7 P50613 1/20 0.42
JAK3 P52333 1/20 0.42
TNK2 Q07912 1/20 0.42
HTR7 P34969 1/20 0.41
POLB P06746 1/20 0.40
LTB4R Q15722 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
SCHEMBL17034162 0.84 CYP11B1 (0.52) S1PR5S1PR1GRK5CDK8NOTUM
SCHEMBL17027210 0.82 S1PR5 (0.53) S1PR5S1PR1NOTUMPRKXIKBKE
SCHEMBL17026911 0.82 NOTUM (0.58) S1PR5S1PR1GRK5CDK8NOTUM
SCHEMBL17034087 0.80 NOTUM (0.68) S1PR5S1PR1GRK5CDK8NOTUM
SCHEMBL17034177 0.78 NOTUM (0.51) S1PR5S1PR1NOTUMALDH1A1MAPT
SCHEMBL17034161 0.77 S1PR5 (0.49) S1PR5S1PR1NOTUMPDGFRAPIM1
SCHEMBL17034174 0.76 S1PR5 (0.55) S1PR5S1PR1NOTUMPRKXIKBKE
SCHEMBL17027029 0.76 PTGDR2 (0.49) S1PR5S1PR1NOTUMPDGFRA
SCHEMBL17034083 0.76 S1PR5 (0.53) S1PR5S1PR1NOTUMPRKXIKBKE
SCHEMBL17027148 0.75 PTGDR2 (0.53) S1PR5S1PR1NOTUMSMN1; SMN2PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 S1PR5 2041/4885S1PR1 1142/4885GRK5 783/4885

“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.