SCHEMBL3548496

SCHEMBL3548496

O=C(ON1CCC(c2cc(F)ccc2Sc2ccc(F)cc2Cl)CC1)C(=O)ON1CCC(c2cc(F)ccc2Sc2ccc(F)cc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.39
LDHA P00338 1/20 0.39
SCD5 Q86SK9 2/20 0.37
OPRL1 P41146 2/20 0.35
RBP4 P02753 3/20 0.35
HPGD P15428 1/20 0.34
HSD11B1 P28845 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
IDO1 P14902 1/20 0.34
HTR1F P30939 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGDR Q13258 1/20 0.34
MGLL Q99685 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33

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
SCHEMBL3544187 0.86 PTGDR2 (0.42) HPGDPTGDR2IDO1TBXA2R
SCHEMBL3543676 0.86 MAPK14 (0.40) HPGDPTGDR2TBXA2RMGLL
SCHEMBL5743280 0.84 SLC6A9 (0.42) GRM5SCD5HSD11B1PTGDR2MGLL
SCHEMBL3546483 0.83 LMNA (0.36) OPRL1PTGDR2
SCHEMBL3538233 0.81 DRD4 (0.35) OPRL1PTGDR2
SCHEMBL3541664 0.80 SLC6A9 (0.41) HSD11B1
SCHEMBL5742641 0.79 RBP4 (0.36) GRM5SCD5OPRL1RBP4PTGDR2
SCHEMBL3546985 0.78 SLC6A9 (0.42) HSD11B1MGLL
SCHEMBL3547182 0.77 TBXA2R (0.40) GRM5PTGDR2IDO1TBXA2RMGLL
Oxalic Acid SCHEMBL3548493 0.76 SLC6A2 (0.43) LDHAOPRL1HPGDTBXA2RPTGDR

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-7732463-B2 4-(2-phenylsulfanyl-phenyl)-piperidine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2010-06-08 US disclosed
US-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders H.LUNDBECK A/S (DK) 2006-05-11 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-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders HTR4, HTR5A, TPH1 GRM5 45/4885LDHA 1165/4885SCD5 4434/4885

“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.