SCHEMBL13429326

SCHEMBL13429326

COC[C@@H]1CCCN1CCNc1ccc(-c2cccc(Oc3cc(=O)[nH]c4ccccc34)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
MCHR2 Q969V1 2/20 0.38
MCHR1 Q99705 2/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
TLR9 Q9NR96 2/20 0.37
TLR8 Q9NR97 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
RAD52 P43351 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL13429296 0.83 LTA4H (0.41) DRD2HTR2AHTR2CMCHR1TLR9
SCHEMBL3224822 0.81 DRD2 (0.42) DRD2TLR9TLR8TLR7KMT2A
SCHEMBL3202232 0.77 MEN1 (0.43) KMT2AMEN1GAAKDM4EHTT
SCHEMBL13429299 0.76 MEN1 (0.43) HTR2AHTR2CTLR9TLR8TLR7
SCHEMBL3216819 0.76 FLT3 (0.44) HTR2ATLR9TLR8TLR7KDM4E
SCHEMBL13429351 0.75 FGFR1 (0.42) ROCK2ROCK1KDR
SCHEMBL13429161 0.71 HPGD (0.54) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL13429218 0.71 KDM4E (0.44) KMT2AMEN1KDM4ESMN1; SMN2ROCK2
SCHEMBL3217214 0.71 CYP1A2 (0.40) TLR9TLR8TLR7KDM4EALDH1A1
SCHEMBL13429278 0.71 PIP4K2A (0.43) KMT2AMEN1GAAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 US disclosed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 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-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS MTOR, RICTOR, PIK3CA DRD2 3605/4885HTR2A 3059/4885HTR2C 2370/4885

“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.