SCHEMBL18123323

SCHEMBL18123323

CN1CCN(C2CN(C(=O)OCc3ccccc3)C2)CC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ CYP2C19 P33261 1/20 0.47
▸ TMEM97 Q5BJF2 10/20 0.46
▸ SIGMAR1 Q99720 10/20 0.46
▸ HTR1A P08908 3/20 0.46
▸ HRH2 P25021 3/20 0.46
▸ HRH1 P35367 3/20 0.46
▸ HRH3 Q9Y5N1 3/20 0.46
▸ ADRA2C P18825 2/20 0.46
▸ HTR2C P28335 3/20 0.46
▸ ADRA2A P08913 2/20 0.46
▸ ADRA2B P18089 2/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ HTR2B P41595 2/20 0.46
▸ DRD1 P21728 1/20 0.46

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
SCHEMBL19966275 0.84 MEN1 (0.39) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15407246 0.84 TMEM97 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL955547 0.84 MEN1 (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29260017 0.82 SMN1; SMN2 (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16822476 0.80 SMN1; SMN2 (0.50) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16822450 0.80 SMN1; SMN2 (0.50) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL25841674 0.79 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL18123325 0.79 SMN1; SMN2 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL23821182 0.79 SMN1; SMN2 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL12021864 0.79 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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-20180072732-A1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-03-15 — — US disclosed
WO-2016157074-A1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-10-06 — — 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-20180072732-A1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS PIK3CA, AKT3, AKT2 MEN1 2966/4885KMT2A 3035/4885NPSR1 3532/4885

“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.

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