SCHEMBL3544759

SCHEMBL3544759

O=C(ON1CCC(c2ccccc2Sc2ccc(Cl)cc2Cl)CC1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ITGB2 P05107 9/20 0.40
ICAM1 P05362 9/20 0.40
ITGAL P20701 9/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTR3A P46098 1/20 0.39
HSP90AA1 P07900 1/20 0.38
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RHEB Q15382 2/20 0.36

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
SCHEMBL3540773 0.91 RBP4 (0.40) RBP4MEN1KMT2AMAPTLMNA
SCHEMBL3546222 0.90 RBP4 (0.40) RBP4MEN1KMT2AMAPTALDH1A1
SCHEMBL3544109 0.88 HTR1A (0.45) RBP4MEN1KMT2AMAPTALDH1A1
SCHEMBL6036253 0.82 GRM5 (0.47) RBP4ALDH1A1
SCHEMBL5742641 0.79 RBP4 (0.36) RBP4ALDH1A1ITGB2ICAM1ITGAL
Trifluoroacetic Acid SCHEMBL3544758 0.79 HTR1A (0.46) MEN1KMT2AMAPTALDH1A1ITGB2
SCHEMBL5742408 0.78 KDM4E (0.48) RBP4MEN1KMT2AMAPTALDH1A1
SCHEMBL5743114 0.77 ENPP2 (0.34) RBP4ITGB2ICAM1ITGALCYP1A2
SCHEMBL5742412 0.77 HTR1A (0.38) RBP4MEN1KMT2AHTR1AHTR3A
SCHEMBL3544775 0.76 HTR1A (0.40) RBP4MAPTALDH1A1HTR1ACYP2C9

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 RBP4 2710/4885MEN1 4709/4885KMT2A 2289/4885

“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.