SCHEMBL7550179

SCHEMBL7550179

C#CCC(CC(C)C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 5/20 0.62
GRIK2 Q13002 5/20 0.62
SLC1A3 P43003 2/20 0.50
SLC1A2 P43004 2/20 0.50
CPA1 P15085 1/20 0.47
LAP3 P28838 2/20 0.42
ANPEP P15144 1/20 0.42
RNPEP Q9H4A4 1/20 0.41
SLC7A5 Q01650 1/20 0.41
MME P08473 3/20 0.41
SLC1A1 P43005 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL8847166 0.90 GRIK1 (0.56) GRIK1GRIK2SLC1A3SLC1A2CPA1
SCHEMBL8847096 0.83 GRIK1 (0.46) GRIK1GRIK2SLC1A3SLC1A2CPA1
SCHEMBL8847113 0.82 GRIK1 (0.56) GRIK1GRIK2SLC1A3SLC1A2CPA1
SCHEMBL379205 0.81 GRIK1 (0.64) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL8847127 0.81 GRIK1 (0.50) GRIK1GRIK2SLC1A3SLC1A2CPA1
SCHEMBL8847137 0.80 GRIK1 (0.55) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL8847227 0.80 GRIK1 (0.55) GRIK1GRIK2SLC1A3SLC1A2CPA1
SCHEMBL8847065 0.79 GRIK1 (0.53) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL276879 0.78 SLC1A3 (0.73) SLC1A3SLC1A2CPA1LAP3ANPEP
SCHEMBL8847399 0.78 GRIK1 (0.47) GRIK1GRIK2SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0778820-A1 NEUROTROPHIC AND ANTIPROLIFERATIVE COMPOUNDS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1997-06-18 EP claimed
WO-1996006821-A1 NEUROTROPHIC AND ANTIPROLIFERATIVE COMPOUNDS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1996-03-07 WO claimed
US-20020013367-A1 Antiproliferative and neurotrophic molecules NAU HEINZ (DE) 2002-01-31 US disclosed
US-6300373-B1 CONTACTING NEURONAL CELLS WITH A NEUROTROPHIC AMOUNT CARBOXYLIC ACID DERIVATIVE FOR PROVIDING NEUROTROPHIC ACTIVITY AMERICAN BIOGENETIC SCIENCES, INC. 2001-10-09 US disclosed
US-6274624-B1 COMPOUNDS SUCH AS 2-N-PENTYL-4-PENTYNOIC ACID AS ANTIMITOTIC AGENTS AMERICAN BIOGENETIC SCIENCES INC. 2001-08-14 US disclosed
EP-0778820-B1 NEUROTROPHIC AND ANTIPROLIFERATIVE COMPOUNDS AMERICAN BIOGENETIC SCIENCES (US) 2001-05-02 EP disclosed
EP-0778820-A1 NEUROTROPHIC AND ANTIPROLIFERATIVE COMPOUNDS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1997-06-18 EP disclosed
WO-1996006821-A1 NEUROTROPHIC AND ANTIPROLIFERATIVE COMPOUNDS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1996-03-07 WO 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-20020013367-A1 Antiproliferative and neurotrophic molecules BDNF, NGF, NTRK2 GRIK1 305/4885GRIK2 229/4885SLC1A3 163/4885

“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.