SCHEMBL4497247

SCHEMBL4497247

CCOC(=O)N1CCN(C2CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 3/20 0.49
TSHR P16473 2/20 0.49
CYP2C19 P33261 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 3/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM3 P20309 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 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
SCHEMBL4497249 1.00 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL20959554 0.86 JAK2 (0.53) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL20980265 0.86 JAK2 (0.53) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL20980264 0.86 JAK2 (0.53) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL2143956 0.85 KMT2A (0.47) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL20959482 0.85 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL2143781 0.79 KMT2A (0.50) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL2143779 0.79 KMT2A (0.50) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL10320835 0.79 KMT2A (0.50) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL31255314 0.78 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1ALDH1A1MEN1KMT2A

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-8232286-B2 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
US-20090156554-A1 P13-KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 US disclosed
US-20060106013-A1 PI3-kinases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-18 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-20090156554-A1 P13-KINASES PIK3C3, PDPK1, MAP3K13 SMN1; SMN2 3429/4885L3MBTL1 4122/4885ALDH1A1 3040/4885
US-20060106013-A1 PI3-kinases PIK3C3, PIK3CB, PIK3CD SMN1; SMN2 3272/4885L3MBTL1 4567/4885ALDH1A1 1935/4885

“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.