SCHEMBL7219670

SCHEMBL7219670

C=CCC(C=O)C(=O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
CYP2C19 P33261 1/20 0.34
CPA1 P15085 1/20 0.34
ABCC4 O15439 1/20 0.31
MAPT P10636 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
SCHEMBL680420 0.81
SCHEMBL6822363 0.76
SCHEMBL9790322 0.73 GRIK1 (0.31) GRIK1GRIK2CYP2C19CPA1
SCHEMBL6427610 0.70 GRIK1 (0.36) GRIK1GRIK2CYP2C19CPA1ABCC4
SCHEMBL3980510 0.70 TSHR (0.39) MAPT
SCHEMBL8755309 0.69 CYP2C19 (0.47) CYP2C19MAPT
SCHEMBL471837 0.69
SCHEMBL29957191 0.69
SCHEMBL29953144 0.69
SCHEMBL28690810 0.68

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
US-6548509-B2 For diagnosis and therapy of treating stress related disorders such as post traumatic stress disorder (PTSD) as well as depression, headache and anxiety NEUROGEN CORPORATION 2003-04-15 US disclosed
EP-0960110-B8 3-ARYL SUBSTITUTED PYRAZOLO[4,3-d]PYRIMIDINE DERIVATIVES; CORTICOTROPIN-RELEASING FACTOR RECEPTOR (CRF1) SPECIFIC LIGANDS NEUROGEN CORP (US) 2002-11-27 EP disclosed
US-20020058668-A1 3-aryl substituted pyrazolo[4,3-D]pyrimidine derivatives; corticotropin-releasing factor receptor (CRF1) specific ligands YUAN JUN (US) 2002-05-16 US disclosed
EP-0960110-B1 3-ARYL SUBSTITUTED PYRAZOLO 4,3-d]PYRIMIDINE DERIVATIVES; CORTICOTROPIN-RELEASING FACTOR RECEPTOR (CRF 1?) SPECIFIC LIGANDS NEUROGEN CORP (US) 2002-03-20 EP disclosed
US-6211187-B1 POST-TRAUMATIC STRESS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS NEUROGEN CORPORATION 2001-04-03 US disclosed
EP-0960110-A1 3-ARYL SUBSTITUTED PYRAZOLO 4,3-d]PYRIMIDINE DERIVATIVES; CORTICOTROPIN-RELEASING FACTOR RECEPTOR (CRF 1?) SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-12-01 EP disclosed
WO-1998029413-A1 3-ARYL SUBSTITUTED PYRAZOLO[4,3-d]PYRIMIDINE DERIVATIVES; CORTICOTROPIN-RELEASING FACTOR RECEPTOR (CRF1) SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1998-07-09 WO disclosed
US-5723608-A 3-aryl substituted pyrazolo 4,3-d!pyrimidine derivatives; corticotropin-releasing factor receptor (CRF1) specific ligands NEUROGEN CORPORATION (US) 1998-03-03 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-20020058668-A1 3-aryl substituted pyrazolo[4,3-D]pyrimidine derivatives; corticotropin-releasing factor receptor (CRF1) specific ligands CRH, CRHR1, CRHR2 GRIK1 248/4885GRIK2 361/4885CYP2C19 521/4885

“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.