SCHEMBL2866565

SCHEMBL2866565

C=CCn1cnc(NNC(=O)OC(C)(C)C)c1C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.33
GAA P10253 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
GLA P06280 1/20 0.32
THRB P10828 1/20 0.32
HIF1A Q16665 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32

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
SCHEMBL2700293 0.81 CRHBP (0.51) ADORA3ADORA2AADORA1KMT2AALDH1A1
SCHEMBL2860627 0.79 KMT2A (0.39) KMT2AALDH1A1MAPTMEN1NPC1
Hydrochloric Acid SCHEMBL2860622 0.78 KMT2A (0.38) KMT2AALDH1A1MAPTMEN1NPC1
SCHEMBL2865868 0.73 RAB9A (0.43) KMT2AALDH1A1MAPTMEN1NPC1
SCHEMBL2701548 0.70 ADORA3 (0.42) ADORA3ADORA2AADORA1KMT2AALDH1A1
SCHEMBL5185715 0.69 MAPT (0.37) KMT2AALDH1A1MAPTGAALMNA
SCHEMBL27107918 0.65 CYP3A4 (0.51) KMT2AALDH1A1MAPTMEN1NPC1
SCHEMBL5185287 0.65 KMT2A (0.40) KMT2AALDH1A1MAPTNPC1RAB9A
SCHEMBL5186356 0.65 KMT2A (0.40) KMT2AALDH1A1MAPTNPC1RAB9A
SCHEMBL5187302 0.65 LMNA (0.32) KMT2AALDH1A1MAPTGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807690-B2 2,3-dihydro-iminoisoindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-05 US disclosed
US-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES CLARK RICHARD 2010-07-22 US disclosed
EP-2202231-A1 2,3-DIHYDROIMINOISOINDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-06-30 EP disclosed
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 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-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 ADORA3 3725/4885ADORA2A 4705/4885ADORA1 4438/4885
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 ADORA3 3744/4885ADORA2A 4711/4885ADORA1 4428/4885

“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.