SCHEMBL3489256

SCHEMBL3489256

CC(C)N[C@@H]1C[C@@H](C(=O)O)CN(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
POLB P06746 2/20 0.33
CYP2D6 P10635 1/20 0.32
BTK Q06187 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
XPNPEP2 O43895 1/20 0.30
ACE P12821 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL3833543 0.85 CHRNB2 (0.32) MAPTCYP2D6GAACHRNB2CHRNA3
SCHEMBL27835383 0.81 POLB (0.36) MAPTPOLBCYP2D6LMNAGAA
SCHEMBL29188207 0.81 POLB (0.36) MAPTPOLBCYP2D6LMNAGAA
SCHEMBL2900509 0.81 POLB (0.36) MAPTPOLBCYP2D6LMNAGAA
SCHEMBL3493429 0.79 MAPK1 (0.43) MAPTPOLBLMNA
SCHEMBL30779755 0.78 CYP2C19 (0.36) MAPTPOLBCYP2D6GAACYP2C19
SCHEMBL27161625 0.74 CYP2D6 (0.40) CYP2D6ATM
SCHEMBL27161618 0.74 CYP2D6 (0.40) CYP2D6ATM
SCHEMBL4126869 0.74 CYP2D6 (0.40) CYP2D6ATM
SCHEMBL1769221 0.73 CYP2C19 (0.39) MAPTPOLBLMNAGAACYP2C19

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 MAPT 3478/4885POLB 2569/4885CYP2D6 185/4885

“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.