SCHEMBL18859433

SCHEMBL18859433

CCN1CCN(CCOC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
KCNH2 Q12809 2/20 0.36
CACNA1I Q9P0X4 1/20 0.36
KDM4E B2RXH2 4/20 0.35
GAA P10253 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
ACHE P22303 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL19958939 0.91 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2KCNH2
SCHEMBL22560689 0.89 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2KCNH2
SCHEMBL22560529 0.84 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KCNH2CACNA1IKDM4E
SCHEMBL823889 0.84 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL19958953 0.84 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2KCNH2
SCHEMBL12788374 0.83 HSD11B1 (0.39) ALDH1A1SMN1; SMN2KCNH2CACNA1IKDM4E
SCHEMBL10159897 0.82 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2KCNH2
SCHEMBL824037 0.82 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2KCNH2
SCHEMBL12788386 0.82 KDM4E (0.34) ALDH1A1SMN1; SMN2KCNH2CACNA1IKDM4E
SCHEMBL25134490 0.81 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KCNH2CACNA1IKDM4E

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-20190127374-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 US disclosed
WO-2018136661-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-07-26 WO disclosed
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-05-18 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 (2 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-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR PIK3CA, PIK3CD, PIP5K1B ALDH1A1 1052/4885KMT2A 1648/4885L3MBTL1 2721/4885
US-20190127374-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF ALDH1A1 2706/4885KMT2A 1448/4885L3MBTL1 1522/4885

“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.