SCHEMBL18083782

SCHEMBL18083782

CC(C)(C)OC(=O)N1CCN(Cc2ccc(NC(=O)c3ccccc3C(F)(F)F)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.51
▸ PTPN11 Q06124 1/20 0.47
▸ ACKR3 P25106 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ TRPV1 Q8NER1 1/20 0.44
▸ KCNK3 O14649 1/20 0.44
▸ KCNK9 Q9NPC2 1/20 0.44
▸ HIF1A Q16665 1/20 0.43
▸ EPAS1 Q99814 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ PTGES O14684 1/20 0.42
▸ NR3C1 P04150 1/20 0.42
▸ ABCB1 P08183 1/20 0.41

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
SCHEMBL18083762 0.88 RXFP1 (0.45) RXFP1PTPN11ACKR3PTGESABCB1
SCHEMBL18083681 0.86 ACKR3 (0.54) RXFP1PTPN11ACKR3MAPTHIF1A
SCHEMBL18083726 0.85 GLS (0.45) RXFP1PTPN11ACKR3MAPTPTGES
SCHEMBL18083787 0.82 CHRM3 (0.52) ACKR3TRPV1KCNK3KCNK9HIF1A
SCHEMBL18083781 0.79 DGAT1 (0.53) MAPTHIF1AEPAS1MEN1TSHR
SCHEMBL20684900 0.76 ACKR3 (0.56) RXFP1PTPN11ACKR3MAPTHIF1A
SCHEMBL18083728 0.75 KCNK3 (0.53) RXFP1KCNK3KCNK9ABL1SRC
SCHEMBL18083772 0.74 SMN1; SMN2 (0.64) RXFP1PTPN11MAPTHIF1AEPAS1
SCHEMBL28864301 0.74 ALDH1A1 (0.61) MAPTMEN1TSHRKMT2A
SCHEMBL20160543 0.74 TP53 (0.48) MAPTMEN1TSHRKMT2ASMN1; SMN2

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
EP-3271348-B1 NEW FYN KINASE INHIBITORS Rottapharm Biotech Srl (IT) 2019-01-30 — — EP disclosed
US-20180111919-A1 NEW FYN KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2018-04-26 — — US disclosed
WO-2016146220-A1 NEW FYN KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2016-09-22 — — WO disclosed
EP-3070084-A1 NEW FYN KINASE INHIBITORS Rottapharm Biotech S.r.l. (IT) 2016-09-21 — — EP 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-20180111919-A1 NEW FYN KINASE INHIBITORS FYN, LCK, LYN RXFP1 1608/4885PTPN11 502/4885ACKR3 533/4885

“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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