SCHEMBL9906703

SCHEMBL9906703

OC1CCN(CC2CCC(CNCCCc3ccccc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
CXCR4 P61073 1/20 0.46
SIGMAR1 Q99720 4/20 0.45
GRIN2B Q13224 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
CCR3 P51677 1/20 0.43
CCR5 P51681 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MC4R P32245 1/20 0.41

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
SCHEMBL13540649 0.89 SIGMAR1 (0.54) SLC6A2SLC6A4SLC6A3CXCR4SIGMAR1
SCHEMBL4073277 0.83 SIGMAR1 (0.64) SIGMAR1HTR1DHTR1BHTR2AHRH1
SCHEMBL9906712 0.81 NPC1 (0.45) CXCR4SIGMAR1HTR2AHRH1
SCHEMBL9906601 0.81 SIGMAR1 (0.61) SIGMAR1GRIN2BCCR3
SCHEMBL25008394 0.79 SIGMAR1 (0.63) SIGMAR1HTR2AHRH1
SCHEMBL8084177 0.76 SIGMAR1 (0.58) SLC6A2SLC6A4SLC6A3SIGMAR1HTR1D
SCHEMBL9906702 0.76 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL7983946 0.74 SIGMAR1 (0.70) SIGMAR1HTR2ACCR3
SCHEMBL9906700 0.74 NPC1 (0.63) CXCR4HRH1
SCHEMBL1967142 0.74 HTR2A (0.56) CXCR4SIGMAR1HTR2AHRH1

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 6 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-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-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 SLC6A2 3622/4885SLC6A4 4433/4885SLC6A3 3035/4885

“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.