SCHEMBL9909029

SCHEMBL9909029

OCC(Cc1ccccc1)NCC1CCC(CNCCCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPY1R P25929 1/20 0.44
NPY5R Q15761 1/20 0.44
HTR2A P28223 2/20 0.44
HRH1 P35367 2/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL4073277 0.83 SIGMAR1 (0.64) SIGMAR1HTR2AHRH1HTR1DHTR1B
SCHEMBL9906711 0.81 SIGMAR1 (0.46) SIGMAR1NPY1RNPY5RSMN1; SMN2
SCHEMBL25008394 0.79 SIGMAR1 (0.63) SIGMAR1HTR2AHRH1
SCHEMBL8084177 0.76 SIGMAR1 (0.58) SIGMAR1KMT2AHTR2AHRH1SLC6A2
SCHEMBL1967142 0.74 HTR2A (0.56) SIGMAR1MEN1KMT2AHTR2AHRH1
SCHEMBL7982542 0.74 SIGMAR1 (0.55) SIGMAR1HTR2AHRH1HTR1DHTR1B
SCHEMBL11934865 0.72 SIGMAR1 (0.54) SIGMAR1HTR2AHRH1
SCHEMBL13438744 0.72 SIGMAR1 (0.54) SIGMAR1HTR2AHRH1
SCHEMBL9906692 0.72 SIGMAR1 (0.41) SIGMAR1MEN1KMT2ANPY1RNPY5R
SCHEMBL11094184 0.70 SIGMAR1 (0.51) SIGMAR1

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 5 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-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 SIGMAR1 4498/4885MEN1 952/4885KMT2A 2342/4885

“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.