SCHEMBL3394130

SCHEMBL3394130

CNC(C)(O)C1CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.44
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.42
IDO1 P14902 2/20 0.41
HTT P42858 3/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPK14 Q16539 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EPHX1 P07099 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL14815564 0.83 IDO1 (0.46) PDPK1RAB9ALMNAIDO1HTT
SCHEMBL20706323 0.80 IDO1 (0.49) PDPK1LMNAIDO1HTTTAS1R3
SCHEMBL9515277 0.78 IDO1 (0.44) PDPK1RAB9ALMNAIDO1HTT
SCHEMBL22808450 0.77 IDO1 (0.50) PDPK1LMNAIDO1HTTTAS1R3
SCHEMBL19117311 0.74 IDO1 (0.44) PDPK1LMNAIDO1HTTALDH1A1
SCHEMBL17236390 0.73 PDPK1 (0.47) PDPK1IDO1
SCHEMBL9004030 0.73 IDO1 (0.49) LMNAIDO1HTTALDH1A1MEN1
SCHEMBL10836441 0.72 IDO1 (0.45) IDO1HTTALDH1A1MEN1KMT2A
SCHEMBL9568035 0.72 HTT (0.45) RAB9ALMNAHTTTAS1R3TAS1R1
SCHEMBL5478312 0.72 IDO1 (0.39) LMNAIDO1HTTTAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A PDPK1 3087/4885RAB9A 4036/4885LMNA 692/4885

“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.