SCHEMBL4390980

SCHEMBL4390980

CCC[C@@H](C)CC(C#N)CC(=O)O.[NaH]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.33
TSHR P16473 1/20 0.33
ADRA1A P35348 2/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31

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
SCHEMBL4390700 1.00 GPR84 (0.33) GPR84TSHRADRA1ACHRM1AKR1A1
SCHEMBL4382725 1.00 GPR84 (0.33) GPR84TSHRADRA1ACHRM1AKR1A1
SCHEMBL29035779 0.98 TSHR (0.34) GPR84TSHRADRA1ACHRM1AKR1A1
SCHEMBL4378802 0.98 TSHR (0.34) GPR84TSHRADRA1ACHRM1AKR1A1
SCHEMBL4381154 0.98 TSHR (0.34) GPR84TSHRADRA1ACHRM1AKR1A1
SCHEMBL3015730 0.98 TSHR (0.34) GPR84TSHRADRA1ACHRM1AKR1A1
SCHEMBL4387847 0.98 TSHR (0.34) GPR84TSHRADRA1ACHRM1AKR1A1
SCHEMBL3015727 0.98 TSHR (0.34) GPR84TSHRADRA1ACHRM1AKR1A1
Tert-Butylamine SCHEMBL4383780 0.91 CACNA2D1 (0.31) GPR84ADRA1ACACNA2D1CACNB3CACNA1C
SCHEMBL3017715 0.88 GPR84 (0.40) GPR84SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090299093-A1 Preparation of Gamma-Amino Acids Having Affinity for The Alpha-2-Delta Protein PFIZER INC. 2009-12-03 US disclosed
EP-2017259-A2 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein Pfizer Products Inc. (US) 2009-01-21 EP disclosed
EP-1973867-A1 PREPARATION OF GAMMA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Pfizer Products Inc. (US) 2008-10-01 EP disclosed
WO-2007072159-A1 PREPARATION OF GAMMA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER PRODUCTS INC. (US) 2007-06-28 WO disclosed
US-20070141684-A1 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein PFIZER INC 2007-06-21 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 (2 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-20070141684-A1 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein SCN2A, CACNG2, SCN1A GPR84 1437/4885TSHR 3280/4885ADRA1A 118/4885
US-20090299093-A1 Preparation of Gamma-Amino Acids Having Affinity for The Alpha-2-Delta Protein SCN2A, CACNG2, SCN1A GPR84 1437/4885TSHR 3280/4885ADRA1A 118/4885

“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.