SCHEMBL2803502

SCHEMBL2803502

CCC(CC)(CCN)Oc1cc(-c2ccccc2)ccc1CN

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 4/20 0.34
HPGD P15428 4/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
DPP4 P27487 1/20 0.33
ABCB1 P08183 1/20 0.32
HTR2C P28335 1/20 0.32
ABCC1 P33527 1/20 0.32
MAOB P27338 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT1 Q99873 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL28063443 0.78 KDM4E (0.51) TAAR1KDM4EMAPTHPGDALDH1A1
SCHEMBL2568229 0.75 HTR2C (0.48) TAAR1KDM4EMAPTHPGDALDH1A1
SCHEMBL2567818 0.68 CFD (0.49) TAAR1MAPTL3MBTL1MAPK1GAA
SCHEMBL2571240 0.67 ALDH1A1 (0.45) KDM4EALDH1A1TDP1
SCHEMBL17892068 0.66 TAAR1 (0.61) TAAR1
SCHEMBL2571211 0.66 TAAR1 (0.48) TAAR1KDM4EMAPTHPGDALDH1A1
SCHEMBL30083378 0.66 TAAR1 (0.48) TAAR1KDM4EMAPTHPGDALDH1A1
SCHEMBL2574818 0.66 TAAR1 (0.48) TAAR1KDM4EMAPTHPGDALDH1A1
SCHEMBL2261293 0.65 KDM4E (0.55) TAAR1KDM4EMAPTHPGDALDH1A1
SCHEMBL3785609 0.64 HSD17B10 (0.53) TAAR1KDM4EMAPTHPGDALDH1A1

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-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-7795236-B2 Purine nucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-14 US disclosed
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 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-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF NUDT1, PNP, SLC28A2 TAAR1 2821/4885KDM4E 3863/4885MAPT 3754/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP TAAR1 2908/4885KDM4E 3787/4885MAPT 3869/4885

“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.