SCHEMBL4202986

SCHEMBL4202986

CCC[C@@H](C)CC(=CC(=O)O)NC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM1A O60341 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
SCHEMBL4202992 1.00 TSHR (0.32) TSHRCHRM1AKR1A1CHRM3HTR2A
SCHEMBL4202981 1.00 TSHR (0.32) TSHRCHRM1AKR1A1CHRM3HTR2A
SCHEMBL4209171 0.90 ACE2 (0.37) KDM1A
SCHEMBL4209175 0.90 ACE2 (0.37) KDM1A
SCHEMBL4209168 0.90 ACE2 (0.37) KDM1A
SCHEMBL4199766 0.86
SCHEMBL4199772 0.86
SCHEMBL4199768 0.86
SCHEMBL4199412 0.81 NPSR1 (0.38) TSHR
SCHEMBL4199421 0.81 NPSR1 (0.38) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER INC 2009-10-01 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-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN SCN2A, SCN1A, ORAI2 TSHR 3665/4885CHRM1 1155/4885AKR1A1 2770/4885

“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.