SCHEMBL1706091

SCHEMBL1706091

CCOC(=O)c1nc(C)nc(O)c1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
ALDH1A1 P00352 1/20 0.41
GABRA2 P47869 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA6 Q16445 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADORA3 P0DMS8 2/20 0.38
GABRB2 P47870 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
TARBP2 Q15633 1/20 0.37
GAA P10253 1/20 0.37
SLC2A1 P11166 1/20 0.37
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37

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
SCHEMBL4773186 0.87 CYP1A2 (0.40) CYP1A2ALDH1A1GABRA2GABRA1GABRA5
SCHEMBL1705589 0.81 ALDH1A1 (0.41) CYP1A2ALDH1A1GABRA2GABRA1GABRA5
SCHEMBL7515527 0.80 HCAR2 (0.38) CYP1A2ALDH1A1KDM4E
SCHEMBL10177616 0.75 GABRA1 (0.42) CYP1A2ALDH1A1GABRA2GABRA1GABRA5
SCHEMBL1705570 0.72 RAB9A (0.46) CYP1A2ALDH1A1GABRA2CYP2C19GABRB2
SCHEMBL4765941 0.72 MAPT (0.40) CYP1A2ALDH1A1ADORA3KDM4EMAPT
SCHEMBL14183027 0.71 ADORA3 (0.50) CYP1A2ALDH1A1CYP2C19ADORA3KDM4E
SCHEMBL10003092 0.70 ALDH1A1 (0.42) CYP1A2ALDH1A1ADORA3KDM4EMAPT
SCHEMBL2743309 0.70 ALDH1A1 (0.43) CYP1A2ALDH1A1KDM4EMAPTTARBP2
SCHEMBL24800386 0.70 NPSR1 (0.42) CYP1A2ALDH1A1GABRA2GABRA1GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2177512-B1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO LTD (JP) 2012-04-18 EP disclosed
US-8048898-B2 Inhibitor of binding of S1P1 TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-11-01 US disclosed
US-8048898-B2 Inhibitor of binding of S1P1 TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-11-01 US disclosed
US-8048898-B2 Inhibitor of binding of S1P1 TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-11-01 US disclosed
US-20100234594-A1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-09-16 US disclosed
US-20100234594-A1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-09-16 US disclosed
US-20100234594-A1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-09-16 US disclosed
EP-2177512-A1 INHIBITOR OF BINDING OF S1P1 Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-21 EP 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-20100234594-A1 INHIBITOR OF BINDING OF S1P1 S1PR1, S1PR3, EDNRB CYP1A2 1963/4885ALDH1A1 1199/4885GABRA2 4044/4885

“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.