SCHEMBL3489257

SCHEMBL3489257

COCCCOc1cc(C(=O)N[C@@H]2CCCN(C(=O)O)C2)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.51
CNR2 P34972 1/20 0.51
POLB P06746 2/20 0.50
SMPD1 P17405 4/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.46
USP30 Q70CQ3 1/20 0.46

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
SCHEMBL13434270 0.88 USP30 (0.60) F10CNR2POLBPDE4APDE4B
SCHEMBL13434272 0.86 MAPK1 (0.51) F10CNR2SMPD1PDE4APDE4B
SCHEMBL90498 0.84 CNR2 (0.61) F10CNR2SMPD1CYP2D6CYP2C9
SCHEMBL3487552 0.83 REN (0.48) POLB
SCHEMBL3488998 0.82 REN (0.49) POLB
SCHEMBL3487554 0.81 REN (0.48) POLB
SCHEMBL3488431 0.81 REN (0.50) POLB
SCHEMBL3487504 0.80 REN (0.47) POLB
SCHEMBL3487746 0.80 REN (0.50) POLB
SCHEMBL21834930 0.80 MAPK1 (0.58) POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 F10 664/4885CNR2 908/4885POLB 2569/4885

“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.