SCHEMBL4331305

SCHEMBL4331305

Cc1ccc(Cl)cc1N1CCN(Cc2c(Cl)c(=O)n(-c3ccc(OC(F)(F)F)cc3)n2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ADRA1B P35368 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
MAPT P10636 4/20 0.40
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL4334313 0.90 ADRA1D (0.43) ALDH1A1ADRA1BHTR1AADRA1DADRA1A
SCHEMBL8259509 0.89 ALDH1A1 (0.52) ALDH1A1ADRA1BHTR1AADRA1DADRA1A
SCHEMBL4327017 0.87 ALDH1A1 (0.48) ALDH1A1ADRA1BHTR1AADRA1DADRA1A
SCHEMBL4332003 0.86 ALDH1A1 (0.44) ALDH1A1ADRA1BHTR1AADRA1DADRA1A
SCHEMBL4324667 0.85 SMN1; SMN2 (0.53) ALDH1A1ADRA1BHTR1AADRA1DADRA1A
SCHEMBL8260344 0.84 EPHX2 (0.38) ALDH1A1ADRA1BHTR1AADRA1ATSHR
SCHEMBL8259582 0.83 ALDH1A1 (0.41) ALDH1A1ADRA1BHTR1AADRA1DADRA1A
SCHEMBL4321301 0.82 MAPK1 (0.47) ALDH1A1ADRA1BHTR1AADRA1DADRA1A
SCHEMBL8257268 0.81 TP53 (0.38) ALDH1A1MAPTTP53SMN1; SMN2NPSR1
SCHEMBL4320317 0.81 ALDH1A1 (0.42) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 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-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A ALDH1A1 1785/4885ADRA1B 224/4885HTR1A 38/4885

“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.