SCHEMBL395380

SCHEMBL395380

C#CCCN1NNC(c2ccc(F)cc2)=C1C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL103813 0.66 MAPK14 (0.40) PYCR1ALDH1A1HPGD
SCHEMBL103397 0.65 MAPK14 (0.38) PYCR1ALDH1A1
SCHEMBL103796 0.63 CREBBP (0.46) PYCR1ALDH1A1
SCHEMBL102272 0.62 PTGS2 (0.51)
SCHEMBL104366 0.60 KDM5A (0.35) PYCR1ALDH1A1HPGD
SCHEMBL396009 0.60 SCN4A (0.45) ALDH1A1HPGD
SCHEMBL102255 0.60 MET (0.36) PYCR1ALDH1A1
SCHEMBL25667133 0.57 ACHE (0.43) ALDH1A1HPGD
SCHEMBL103535 0.56 NPC1 (0.35)
SCHEMBL1311590 0.55 TAAR1 (0.50) PYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 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-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 PYCR1 1595/4885ALDH1A1 2496/4885HPGD 3146/4885

“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.