SCHEMBL3607337

SCHEMBL3607337

CCOC(=O)C1CCN(C(=O)OCc2ccc(C)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 1/20 0.58
GRIN2B Q13224 3/20 0.58
KMT2A Q03164 3/20 0.57
POLB P06746 3/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
CYP2C19 P33261 1/20 0.55
TSHR P16473 1/20 0.55
MDM2 Q00987 1/20 0.55

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
SCHEMBL630697 0.90 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9AKMT2APOLB
SCHEMBL1507267 0.85 NPC1 (0.67) SMN1; SMN2NPC1RAB9AKMT2APOLB
SCHEMBL25030784 0.83 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AKMT2APOLB
SCHEMBL1720494 0.83 MAPT (0.72) KMT2APOLBHTTTDP1ALDH1A1
SCHEMBL5766528 0.82 NPC1 (0.66) SMN1; SMN2NPC1RAB9AKMT2APOLB
SCHEMBL14127568 0.82 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AKMT2APOLB
SCHEMBL15610237 0.82 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AKMT2APOLB
SCHEMBL5348136 0.80 TPSAB1 (0.70) SMN1; SMN2NPC1RAB9AGRIN2BKMT2A
SCHEMBL7384158 0.80 KMT2A (0.59) SMN1; SMN2NPC1RAB9AGRIN2BKMT2A
SCHEMBL14937640 0.80 HPGD (0.52) SMN1; SMN2NPC1RAB9AGRIN2BKMT2A

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
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 SMN1; SMN2 4057/4885NPC1 3378/4885RAB9A 3583/4885

“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.