SCHEMBL18083762

SCHEMBL18083762

CC(C)(C)OC(=O)N1CCN(Cc2cnc(NC(=O)c3ccccc3C(F)(F)F)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.45
▸ PTPN11 Q06124 1/20 0.43
▸ ACKR3 P25106 2/20 0.42
▸ HCRTR1 O43613 1/20 0.40
▸ SCD O00767 1/20 0.40
▸ CCNK O75909 1/20 0.40
▸ CDK12 Q9NYV4 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KIF18A Q8NI77 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ EPHX2 P34913 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
SCHEMBL18083782 0.88 RXFP1 (0.51) RXFP1PTPN11ACKR3ABCB1PTGES
SCHEMBL18083726 0.87 GLS (0.45) RXFP1PTPN11ACKR3KIF18ATP53
SCHEMBL18087497 0.82 CHRM3 (0.52) ACKR3HCRTR1TP53PTGESCHRM3
SCHEMBL18083681 0.81 ACKR3 (0.54) RXFP1PTPN11ACKR3TP53
SCHEMBL20684928 0.76 F13A1 (0.42) ACKR3CCNKCDK12CHRM2CHRM4
SCHEMBL28864301 0.74 ALDH1A1 (0.61) POLBTP53
SCHEMBL25933 0.72 POLB (0.58) SCDPOLB
SCHEMBL18083760 0.72 PTGES (0.53) HCRTR1TP53PTGES
SCHEMBL18291489 0.72 CHRM2 (0.46) PTPN11CCNKCDK12POLBABCB1
SCHEMBL938275 0.71 POLB (0.48) RXFP1POLBABCB1CHRM2CHRM4

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.

Send feedback