SCHEMBL10039631

SCHEMBL10039631

CCOC(=O)C1CCN(C(=O)CF)CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.66
MAPT P10636 3/20 0.64
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TSHR P16473 3/20 0.57
HSD17B10 Q99714 2/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 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
SCHEMBL12297020 0.86 ALDH1A1 (0.69) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL6983366 0.85 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL6983363 0.85 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL5605709 0.83 ALDH1A1 (0.66) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL7400389 0.83 ALDH1A1 (0.66) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL19195034 0.83 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL1720494 0.82 MAPT (0.72) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL5605913 0.82 MAPT (0.69) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL2607028 0.82 POLB (0.65) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL2415496 0.82 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130129625-A1 IN VIVO IMAGING AGENTS HAMMERSMITH IMANET LIMITED (GB) 2013-05-23 US disclosed
US-20130129626-A1 IN VIVO IMAGING AGENTS HAMMERSMITH IMANET LIMITED (GB) 2013-05-23 US disclosed
US-20130129625-A1 IN VIVO IMAGING AGENTS HAMMERSMITH IMANET LIMITED (GB) 2013-05-23 US disclosed
US-20130129626-A1 IN VIVO IMAGING AGENTS HAMMERSMITH IMANET LIMITED (GB) 2013-05-23 US disclosed
EP-2125038-B1 RADIOACTIVE PET AGENTS FOR IMAGING CCR5 IN VIVO GE HEALTHCARE LTD (GB) 2012-05-02 EP disclosed
US-20110129419-A1 IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2011-06-02 US disclosed
US-20110129419-A1 IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2011-06-02 US disclosed
WO-2008075040-A2 IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2008-06-26 WO 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 (3 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-20110129419-A1 IN VIVO IMAGING AGENTS CCR5, CCR2, CX3CR1 ALDH1A1 2886/4885MAPT 2813/4885MEN1 1111/4885
US-20130129625-A1 IN VIVO IMAGING AGENTS CCR5, CCR2, CX3CR1 ALDH1A1 2886/4885MAPT 2813/4885MEN1 1111/4885
US-20130129626-A1 IN VIVO IMAGING AGENTS CCR5, CCR2, CX3CR1 ALDH1A1 2886/4885MAPT 2813/4885MEN1 1111/4885

“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.