SCHEMBL9906595

SCHEMBL9906595

COC1CCN(C[C@H](Cc2ccccc2)NCc2cccc(Oc3cccc(Cl)c3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
MAOB P27338 1/20 0.40
HTR6 P50406 1/20 0.40
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
CCR8 P51685 4/20 0.39
HDAC8 Q9BY41 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9906594 0.88 FAAH (0.45) FAAHCCR8SIGMAR1
SCHEMBL3117108 0.83 PPARG (0.47) FAAHCCR8ALDH1A1
SCHEMBL9906597 0.81 FAAH (0.45) FAAH
SCHEMBL9906620 0.79 FAAH (0.45) FAAHCCR8KDM4EALDH1A1TDP1
Trifluoroacetic Acid SCHEMBL3116154 0.78 PPARG (0.46) FAAHCCR8
SCHEMBL9906609 0.73 CXCR4 (0.43) FAAHCCR8
SCHEMBL9906612 0.69 DRD2 (0.46) FAAHCCR8
SCHEMBL9906651 0.69 SPHK2 (0.44) FAAHKDM4EALDH1A1
SCHEMBL9906617 0.67 DRD2 (0.41) FAAHCCR8ALDH1A1SMN1; SMN2
SCHEMBL13540691 0.66 ALDH1A1 (0.47) FAAHCCR8ALDH1A1SIGMAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198303-B2 Methods of use and compositions for the diagnosis and treatment of infectious diseases SEQUELLA, INC. (US) 2012-06-12 US disclosed
US-20100273826-A1 METHODS OF USE AND COMPOSITIONS FOR THE DIAGNOSIS AND TREATMENT OF INFECTIOUS DISEASES SEQUELLA, INC. 2010-10-28 US disclosed
US-7652039-B2 Such as 1-(2-((3-(4-chlorophenoxy)benzyl)amino)-3-phenyl-propyl)piperidin-4-ol for treatment of tuberculosis; solid phase synthesis SEQUELLA, INC. (US) 2010-01-26 US disclosed
US-7652039-B2 Such as 1-(2-((3-(4-chlorophenoxy)benzyl)amino)-3-phenyl-propyl)piperidin-4-ol for treatment of tuberculosis; solid phase synthesis SEQUELLA, INC. (US) 2010-01-26 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-20100273826-A1 METHODS OF USE AND COMPOSITIONS FOR THE DIAGNOSIS AND TREATMENT OF INFECTIOUS DISEASES C5, THPO, TERT FAAH 2618/4885MAOB 700/4885HTR6 3070/4885

“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.