SCHEMBL1774875

SCHEMBL1774875

NCCNC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 14/20 0.70
YAP1 P46937 1/20 0.67
TEAD4 Q15561 1/20 0.67
TEAD2 Q15562 1/20 0.67
TRPV1 Q8NER1 1/20 0.61
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL12606017 0.93 RXFP1 (0.67) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL13929951 0.91 RXFP1 (0.64) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL9268782 0.86 RXFP1 (0.78) RXFP1YAP1TEAD4TEAD2LMNA
SCHEMBL13754010 0.85 RXFP1 (0.73) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL18752851 0.85 RXFP1 (0.54) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL18286751 0.84 RXFP1 (0.53) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL10310897 0.83 LMNA (0.72) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL1775112 0.83 RXFP1 (0.65) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL14192649 0.82 RXFP1 (0.66) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL15528884 0.82 RXFP1 (1.00) RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943775-B2 to detect amyloid deposits prior to aggregation into plaques; labeled bifunctional compound binds to target protein and to chaperone protein; Alzheimer's; 1-[4-(carboxymethoxy)phenyl]-3-(3,4-dimethoxy-phenyl)-1-propanyl-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylate isomers bind differently THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-05-17 US disclosed
US-20080085238-A1 Small Molecules for Imaging Protein-Protein Interactions The Government of the United States of America as represented (US) 2008-04-10 US disclosed
US-20080085238-A1 Small Molecules for Imaging Protein-Protein Interactions The Government of the United States of America as represented (US) 2008-04-10 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-20080085238-A1 Small Molecules for Imaging Protein-Protein Interactions HSPBP1, HSPA2, HSPA8 RXFP1 2785/4885YAP1 2030/4885TEAD4 4460/4885

“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.