SCHEMBL880247

SCHEMBL880247

O=C1CC(c2cccc(C(F)(F)F)c2)c2ccc3c(c2N1)CCC3

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KIF11 P52732 2/20 0.41
KDM4E B2RXH2 2/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
IDO1 P14902 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
SCHEMBL10280723 0.85 KDM4E (0.56) MEN1NPC1KMT2ALMNARAB9A
SCHEMBL880426 0.83 LMNA (0.49) MEN1NPC1KMT2ALMNARAB9A
SCHEMBL880487 0.83 LMNA (0.67) MEN1NPC1KMT2ALMNARAB9A
SCHEMBL880230 0.83 KMT2A (0.67) MEN1NPC1KMT2ALMNARAB9A
SCHEMBL14047425 0.83 TDP1 (0.52) MEN1NPC1KMT2ALMNARAB9A
SCHEMBL880374 0.81 LMNA (0.64) MEN1NPC1KMT2ALMNARAB9A
SCHEMBL10280623 0.80 KMT2A (0.47) MEN1NPC1KMT2ALMNARAB9A
SCHEMBL880429 0.77 SMN1; SMN2 (0.64) KMT2ALMNAMAPTSMN1; SMN2HTR2A
SCHEMBL880489 0.76 LMNA (0.49) MEN1NPC1KMT2ALMNARAB9A
SCHEMBL15359830 0.76 LMNA (0.41) MEN1NPC1KMT2ALMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 US disclosed
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-01-07 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-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 MEN1 3940/4885NPC1 3/4885KMT2A 4389/4885

“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.