SCHEMBL1622751

SCHEMBL1622751

CC(C)(C)OC(=O)N1CCCC(CN(Cc2ccccc2)C(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.55
JAK1 P23458 1/20 0.55
ACKR3 P25106 1/20 0.52
HTR6 P50406 4/20 0.49
USP30 Q70CQ3 3/20 0.49
BCHE P06276 2/20 0.49
KDM1A O60341 1/20 0.47
KAT7 O95251 1/20 0.45
KAT8 Q9H7Z6 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
STS P08842 1/20 0.45
FEN1 P39748 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
BACE1 P56817 2/20 0.45
HSD11B1 P28845 1/20 0.45
CTSD P07339 1/20 0.45
NR1D1 P20393 1/20 0.45

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
SCHEMBL1624362 1.00 JAK2 (0.55) JAK2JAK1ACKR3HTR6USP30
SCHEMBL1624057 1.00 JAK2 (0.55) JAK2JAK1ACKR3HTR6USP30
SCHEMBL1623986 0.93 JAK2 (0.60) JAK2JAK1USP30GPR119STS
SCHEMBL15462496 0.93 JAK2 (0.60) JAK2JAK1USP30GPR119STS
SCHEMBL1622025 0.93 JAK2 (0.60) JAK2JAK1USP30GPR119STS
SCHEMBL8237687 0.84 ACKR3 (0.57) JAK2JAK1ACKR3HTR6USP30
SCHEMBL6214983 0.84 ACKR3 (0.57) JAK2JAK1ACKR3HTR6USP30
SCHEMBL15626828 0.83 JAK2 (0.54) JAK2JAK1USP30GPR119STS
SCHEMBL13777209 0.82 ACKR3 (0.53) JAK2JAK1ACKR3HTR6USP30
SCHEMBL14720186 0.82 JAK2 (0.52) JAK2JAK1USP30GPR119STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 US disclosed
US-7928107-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-19 US disclosed
US-20060173018-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 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-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 JAK2 3157/4885JAK1 4357/4885ACKR3 3182/4885

“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.