SCHEMBL3080240

SCHEMBL3080240

N#CC1CCN(C(=O)O)C(Cc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.43
HSD11B1 P28845 1/20 0.43
DPP4 P27487 4/20 0.40
MC4R P32245 2/20 0.40
MC3R P41968 2/20 0.40
MC1R Q01726 2/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
ABCB1 P08183 1/20 0.39
MGLL Q99685 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
SCHEMBL592840 0.88 DPP4 (0.41) TACR1DPP4DPP8DPP9DPP7
SCHEMBL592356 0.83 NR1H2 (0.48) TACR1DPP4
SCHEMBL18862951 0.81 HSD11B1 (0.48) HSD11B1MC4RMC3RMC1RABCB1
SCHEMBL18862950 0.81 HSD11B1 (0.48) HSD11B1MC4RMC3RMC1RABCB1
SCHEMBL13722390 0.80 TACR1 (0.46) TACR1HSD11B1MC4RMC3RMC1R
SCHEMBL29187960 0.80 TACR1 (0.52) TACR1HSD11B1MC4RMC3RMC1R
SCHEMBL28169013 0.80 TACR3 (0.50)
SCHEMBL7854892 0.79 TACR1 (0.63) TACR1HSD11B1DPP4MC4RMC3R
SCHEMBL6952343 0.79 L3MBTL1 (0.49) TACR1HSD11B1MC4RMC3RMC1R
SCHEMBL29270706 0.79 TACR1 (0.47) TACR1HSD11B1MC4RMC3RMC1R

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-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 US disclosed
WO-2006086609-A2 INHIBITORS OF TRYPTASE AXYS PHARMACEUTICALS, INC. (US) 2006-08-17 WO 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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 TACR1 474/4885HSD11B1 1197/4885DPP4 754/4885

“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.