SCHEMBL9909050

SCHEMBL9909050

CC(C)=CCC/C(C)=C/CCC(C)NC(Cc1ccccc1)CN(C)CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ICMT O60725 3/20 0.36
GMNN O75496 1/20 0.36
TRPA1 O75762 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
CDK2 P24941 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LSS P48449 1/20 0.36
SQLE Q14534 1/20 0.35

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
SCHEMBL9909023 0.75 MEN1 (0.41) TRPV1RECQL
SCHEMBL9909027 0.74 MEN1 (0.39) RECQL
SCHEMBL30285881 0.70 KMT2A (0.44) TRPV1TSHRICMTGMNNTRPA1
SCHEMBL21693905 0.67 TRPV1 (0.48) TRPV1TSHRICMTGMNNTRPA1
SCHEMBL28633600 0.66 TRPV1 (0.52) TRPV1
SCHEMBL3088505 0.65 TRPV1 (0.62) TRPV1TSHRICMTGMNNTRPA1
SCHEMBL3099921 0.65 TRPV1 (0.62) TRPV1TSHRICMTGMNNTRPA1
SCHEMBL17867387 0.65 KMT2A (0.55) TRPV1TSHRICMTGMNNTRPA1
SCHEMBL14695430 0.65 TRPV1 (0.62) TRPV1TSHRICMTGMNNTRPA1
SCHEMBL3091996 0.65 TRPV1 (0.62) TRPV1TSHRICMTGMNNTRPA1

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 TRPV1 4741/4885TSHR 2498/4885KDM4E 2686/4885

“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.