SCHEMBL18083726

SCHEMBL18083726

CC(C)(C)OC(=O)N1CCN(Cc2ccc(NC(=O)c3ccccc3C(F)(F)F)nn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.44
▸ ACKR3 P25106 2/20 0.43
▸ MAPT P10636 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ KIF18A Q8NI77 1/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ PTGES O14684 1/20 0.40
▸ BACE1 P56817 1/20 0.39
▸ FAAH O00519 1/20 0.39

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 0.87 RXFP1 (0.45) RXFP1ACKR3TP53PTPN11KIF18A
SCHEMBL18083782 0.85 RXFP1 (0.51) RXFP1ACKR3MAPTPTPN11PTGES
SCHEMBL18083765 0.82 CHRM3 (0.53) GLSRXFP1ACKR3TP53CHRM3
SCHEMBL18083681 0.82 ACKR3 (0.54) RXFP1ACKR3MAPTTP53PTPN11
SCHEMBL28864301 0.75 ALDH1A1 (0.61) MAPTTP53
SCHEMBL18083727 0.75 LMNA (0.50) RXFP1TP53PTGES
SCHEMBL25933 0.74 POLB (0.58) —
SCHEMBL24765850 0.73 VEGFA (0.48) MAPTTP53CHRM2CHRM4CHRM1
SCHEMBL18291473 0.73 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3
SCHEMBL29132142 0.73 FNTA (0.49) ACKR3CHRM2CHRM4CHRM1CHRM3

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 GLS 2524/4885RXFP1 1608/4885ACKR3 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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