SCHEMBL6071345

SCHEMBL6071345

O=C(CC1CCCCCC1)NN1CCN(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GFER P55789 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 1/20 0.48
HIF1A Q16665 1/20 0.48
TSHR P16473 1/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
NAMPT P43490 1/20 0.46
ADAM10 O14672 1/20 0.46
ERBB2 P04626 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
SCHEMBL8693264 0.74 MAPT (0.47) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL2557268 0.72 FFAR4 (0.61) L3MBTL1MAPT
SCHEMBL6070231 0.72 MAPT (0.54) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL16054310 0.71 ALDH1A1 (0.72) EPHX2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3822162 0.71 EPHX2 (1.00) EPHX2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL22848104 0.71 DRD2 (0.58) KDM4ETSHRDRD2DRD3
SCHEMBL28933271 0.71 EPHX2 (0.64) EPHX2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL24322768 0.70 KCNH2 (0.55) DRD2DRD3
SCHEMBL4703338 0.70 NOTUM (0.50) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL5777417 0.70 NOTUM (0.50) KMT2AL3MBTL1MAPTDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6991902-B2 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. (US) 2006-01-31 US disclosed
US-6893815-B1 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. (US) 2005-05-17 US disclosed
US-20030003505-A1 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. 2003-01-02 US disclosed
US-20020009748-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION ISIS PHARMACEUTICALS, INC. 2002-01-24 US disclosed
WO-1999000669-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION ISIS PHARMACEUTICALS, INC. (US) 1999-01-07 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 (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-20020009748-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION PNP, ATIC, DPYD EPHX2 624/4885NPC1 4302/4885RAB9A 3192/4885
US-20030003505-A1 Nucleobase heterocyclic combinatorialization PNP, ATIC, DPYD EPHX2 624/4885NPC1 4302/4885RAB9A 3192/4885

“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.