SCHEMBL2903404

SCHEMBL2903404

COc1cc2[nH]c(CO)nc2c(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 11/20 0.43
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
PDE5A O76074 1/20 0.39
AAK1 Q2M2I8 1/20 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
SCHEMBL2909994 0.86 PDE5A (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2910606 0.80 DRD4 (0.47) TDP1
SCHEMBL6368168 0.77 NTRK1 (0.49) PDE5AAAK1
SCHEMBL2908964 0.76 CACNA1H (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2907909 0.76 KDM4E (0.45) TDP1
SCHEMBL2903412 0.76 KDM4E (0.44) RHEBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6656239 0.67 CACNA1H (0.45) AAK1
SCHEMBL5259625 0.65 PDE3B (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9688929 0.65 ATP4A (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31212264 0.65 NQO2 (0.33) RHEBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400510-B1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS KOWA CO (JP) 2010-08-18 EP disclosed
US-7135473-B2 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2006-11-14 US disclosed
US-20040058913-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2004-03-25 US disclosed
EP-1400510-A1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6632810-B2 Such as N,N'-bis((5,6,7-trimethoxynaphthalen-2-yl)methyl) piperazine, which has inhibitory effects on cell adhesion, for treatment of allergy, asthma, rheumatism, arteriosclerosis, and inflammation KOWA CO., LTD. (JP) 2003-10-14 US disclosed
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2003-03-27 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-20040058913-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 RHEB 4081/4885GRIN2D 833/4885GRIN3B 388/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 RHEB 4081/4885GRIN2D 833/4885GRIN3B 388/4885

“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.