SCHEMBL3989159

SCHEMBL3989159

Cc1ccc([C@@H](C)O)c(N)c1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
PDE2A O00408 1/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SCN5A Q14524 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
SCHEMBL9791485 0.84 POLB (0.39) POLBPDE2ANOS3NOS2TSHR
SCHEMBL5190967 0.81 LMNA (0.36) POLBTSHRMAPTKMT2AALDH1A1
SCHEMBL7108992 0.79 POLB (0.42) POLBNOS3NOS2TSHRCASP1
SCHEMBL6310146 0.72 POLB (0.37) POLBNOS3NOS2
SCHEMBL19998489 0.72 LMNA (0.38) POLBTSHR
SCHEMBL14600343 0.71 ALDH1A1 (0.39) PDE2ATSHRALDH1A1SCN5A
SCHEMBL394750 0.70 POLB (0.68) POLBNOS3NOS2TSHRCASP1
SCHEMBL6542243 0.70 POLB (0.42) POLBNOS3NOS2TSHRMEN1
SCHEMBL13254949 0.70 ALDH1A1 (0.50) POLBTSHRCASP1MEN1MAPT
SCHEMBL7089983 0.70 PDE2A (0.32) PDE2A

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-7507827-B2 Stereoselective method for the production of Clopidogrel RATIOPHARM GMBH (DE) 2009-03-24 US disclosed
US-20070219166-A1 Stereoselective Method for the Production of Clopidogrel RATIOPHARM GMBH (DE) 2007-09-20 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 (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-20070219166-A1 Stereoselective Method for the Production of Clopidogrel CYP2C19, ADH1C, TBXA2R POLB 2869/4885PDE2A 132/4885NOS3 1365/4885

“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.