SCHEMBL4475985

SCHEMBL4475985

CC(C)(C)OC(=O)N1CCC(CCCO)(NC(=O)OCc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BACE1 P56817 1/20 0.40
TACR1 P25103 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
STS P08842 1/20 0.39
USP30 Q70CQ3 1/20 0.39
SYK P43405 1/20 0.39
YAP1 P46937 1/20 0.39
SCD5 Q86SK9 1/20 0.38

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
SCHEMBL24940830 0.90 MEN1 (0.43) P2RX7MEN1KMT2ABACE1TACR1
SCHEMBL1950941 0.89 P2RX7 (0.41) P2RX7MEN1KMT2ABACE1STS
SCHEMBL16825735 0.88 MEN1 (0.45) P2RX7MEN1KMT2ABACE1TACR1
SCHEMBL27139196 0.87 OPRD1 (0.43) P2RX7MEN1KMT2ABACE1TACR1
SCHEMBL30732662 0.87 MEN1 (0.42) P2RX7MEN1KMT2ABACE1TACR1
SCHEMBL743654 0.87 TACR1 (0.43) P2RX7MEN1KMT2ABACE1TACR1
SCHEMBL607180 0.86 MEN1 (0.46) P2RX7MEN1KMT2ABACE1TACR1
SCHEMBL4780268 0.85 NPFFR1 (0.48) P2RX7MEN1KMT2ABACE1TACR1
SCHEMBL4780264 0.85 NPFFR1 (0.48) P2RX7MEN1KMT2ABACE1TACR1
SCHEMBL5721029 0.85 BACE1 (0.42) P2RX7MEN1KMT2ABACE1TACR1

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-7485647-B2 2-aminoquinoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-02-03 US disclosed
US-20060287340-A1 2-Aminoquinoline derivatives MSD K.K. (JP) 2006-12-21 US disclosed
EP-1630162-A1 2-AMINOQUINOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-03-01 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-20060287340-A1 2-Aminoquinoline derivatives MCHR2, MC2R, MCHR1 P2RX7 379/4885MEN1 910/4885KMT2A 1082/4885

“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.