SCHEMBL13074142

SCHEMBL13074142

O=C1CCCN1[C@@H](c1ccc(F)cc1)[C@H](O)c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PER2 O15055 3/20 0.39
CRY2 Q49AN0 2/20 0.39
MCHR1 Q99705 3/20 0.37
ADRA1A P35348 2/20 0.36
ADRA1B P35368 1/20 0.36
HSD11B1 P28845 3/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
PTGER3 P43115 1/20 0.34
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL13084696 0.81 HSD11B1 (0.36) PER2CRY2MCHR1ADRA1AADRA1B
SCHEMBL13036385 0.81 HSD11B1 (0.36) PER2CRY2MCHR1ADRA1AADRA1B
SCHEMBL13036382 0.81 HSD11B1 (0.36) PER2CRY2MCHR1ADRA1AADRA1B
SCHEMBL13036284 0.78 MCHR1 (0.33) PER2CRY2MCHR1ADRA1AADRA1B
SCHEMBL13036453 0.78 MCHR1 (0.33) PER2CRY2MCHR1ADRA1AADRA1B
SCHEMBL13036287 0.78 MCHR1 (0.33) PER2CRY2MCHR1ADRA1AADRA1B
SCHEMBL13036413 0.78 PTGER3 (0.38) PER2CRY2MCHR1ADRA1AADRA1B
SCHEMBL13084671 0.78 PTGER3 (0.38) PER2CRY2MCHR1ADRA1AADRA1B
SCHEMBL13036412 0.78 PTGER3 (0.38) PER2CRY2MCHR1ADRA1AADRA1B
SCHEMBL2762827 0.76 PTGER3 (0.39) PER2CRY2ADRA1AADRA1BHSD11B1

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-7825264-B2 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them SANOFI-AVENTIS (FR) 2010-11-02 US disclosed
US-20080188520-A1 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them SANOFI-AVENTIS (FR) 2008-08-07 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-20080188520-A1 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them KCNH1, MLLT3, CYP1A2 PER2 954/4885CRY2 550/4885MCHR1 2319/4885

“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.