SCHEMBL9906708

SCHEMBL9906708

OCCOCCNCC1CCC(CNCCOCc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
FOXM1 Q08050 1/20 0.40
EPHX2 P34913 2/20 0.40
TSHR P16473 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
GBA1 P04062 2/20 0.38
UGCG Q16739 2/20 0.38
GBA2 Q9HCG7 2/20 0.38
KCNH3 Q9ULD8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR6 P50406 1/20 0.38
ASAH1 Q13510 1/20 0.38
CXCR4 P61073 1/20 0.38

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
SCHEMBL9906697 0.90 HTR6 (0.47) SMN1; SMN2LMNAHTTEPHX2TSHR
SCHEMBL11934868 0.86 SMN1; SMN2 (0.42) SMN1; SMN2LMNAHTTFOXM1EPHX2
SCHEMBL13438743 0.86 SMN1; SMN2 (0.42) SMN1; SMN2LMNAHTTFOXM1EPHX2
SCHEMBL2592983 0.85 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTTSHRADRB2
SCHEMBL9906710 0.82 ACHE (0.37) SMN1; SMN2HTTKDM4EHTR6ASAH1
SCHEMBL21207960 0.82 ADRB2 (0.47) SMN1; SMN2LMNAHTTADRB2ADRB1
SCHEMBL9906711 0.81 SIGMAR1 (0.46) SMN1; SMN2HTT
SCHEMBL13536703 0.79 SIGMAR1 (0.39) SMN1; SMN2HTTADRB2ADRB1ADRB3
SCHEMBL9906712 0.78 NPC1 (0.45) LMNAHTTCXCR4
SCHEMBL3925230 0.78 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHTTTSHRKDM4E

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 SMN1; SMN2 670/4885LMNA 986/4885HTT 1334/4885

“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.