SCHEMBL4380022

SCHEMBL4380022

CN1CCC(NC(C(=O)N(c2ccccc2)c2ccccc2)C(F)(F)C(=O)OF)C(c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.42
CHRM3 P20309 3/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
SSTR4 P31391 4/20 0.42
SSTR1 P30872 2/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
TACR1 P25103 2/20 0.36
KDM1A O60341 4/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
SPTLC2 O15270 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 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
SCHEMBL4226993 0.83 KDM1A (0.44) KDM1AMAOAMAOB
Trifluoroacetic Acid SCHEMBL4380019 0.72 SSTR4 (0.45) CHRM4CHRM3CHRM5CHRM1SSTR4
SCHEMBL4226587 0.67 MTNR1A (0.50) CYP1A2
SCHEMBL4237168 0.66 MTNR1A (0.34)
SCHEMBL4227830 0.65 CACNA2D1 (0.36)
SCHEMBL4227423 0.65 KDM4E (0.43) ALDH1A1
SCHEMBL11836806 0.65 SLC6A2 (0.53) SSTR4SSTR1SLC6A2SLC6A4SLC6A3
SCHEMBL11836822 0.65 SLC6A2 (0.53) SSTR4SSTR1SLC6A2SLC6A4SLC6A3
SCHEMBL11836792 0.65 SLC6A2 (0.53) SSTR4SSTR1SLC6A2SLC6A4SLC6A3
SCHEMBL4232958 0.64 BCAT2 (0.38)

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
EP-2096104-A1 Organic diamines as mGluR7 modulators Novartis AG (CH) 2009-09-02 EP disclosed
US-20080242698-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 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-20080242698-A1 Organic Compounds AOC1, OTC, ODC1 CHRM4 3158/4885CHRM3 2668/4885CHRM5 1845/4885

“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.