SCHEMBL7658515

SCHEMBL7658515

C[C@H]1OC(=O)N[C@@H]1c1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.45
CYP2D6 P10635 1/20 0.40
CHRNB2 P17787 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
IDO1 P14902 4/20 0.36
TDO2 P48775 3/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PGR P06401 1/20 0.34
KCNH2 Q12809 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
SCHEMBL7655571 1.00 GRM5 (0.45) GRM5CYP2D6CHRNB2ADRA2CCHRNB4
SCHEMBL5662057 1.00 GRM5 (0.45) GRM5CYP2D6CHRNB2ADRA2CCHRNB4
SCHEMBL14587411 1.00 GRM5 (0.45) GRM5CYP2D6CHRNB2ADRA2CCHRNB4
SCHEMBL14587413 1.00 GRM5 (0.45) GRM5CYP2D6CHRNB2ADRA2CCHRNB4
SCHEMBL10242113 0.77 GRM5 (0.54) GRM5PGRKCNH2
SCHEMBL7654253 0.77 GRM5 (0.54) GRM5PGRKCNH2
SCHEMBL7655582 0.77 GRM5 (0.54) GRM5PGRKCNH2
SCHEMBL7654264 0.77 GRM5 (0.54) GRM5PGRKCNH2
SCHEMBL6965438 0.77 GRM5 (0.43) GRM5CHRNB2ADRA2CCHRNB4CHRNA3
SCHEMBL6964387 0.77 GRM5 (0.46) GRM5CYP2D6CHRNB2ADRA2CCHRNB4

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-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 US disclosed
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 US disclosed
US-6372911-B1 REACTING COMPOUND CONTAINING AT LEAST ONE CARBON-CARBON DOUBLE BOND WITH CARBAMATE IN AQUEOUS SOLVENT IN PRESENCE OF BASE, OSMIUM CATALYST, CO-OXIDANT, AND OPTIONALLY ASYMMETRIC LIGAND, TO FORM REACTION MIXTURE CONTAINING BETA-HYDROXY CARBAMATE MERCK & CO., INC. 2002-04-16 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-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R GRM5 609/4885CYP2D6 885/4885CHRNB2 647/4885

“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.