SCHEMBL10039556

SCHEMBL10039556

CCCCOCC(=O)N1CCC(C(=O)Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GNAI3 P08754 3/20 0.40
▸ GNAO1 P09471 3/20 0.40
▸ GNAI1 P63096 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CES2 O00748 1/20 0.38
▸ S1PR5 Q9H228 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL12542224 0.86 POLB (0.51) SMN1; SMN2L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL10039555 0.82 ALDH1A1 (0.58) SMN1; SMN2L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL30643718 0.80 L3MBTL1 (0.52) SMN1; SMN2L3MBTL1ALDH1A1GNAI3GNAO1
SCHEMBL15040863 0.77 MEN1 (0.55) SMN1; SMN2L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL20016963 0.77 ALDH1A1 (0.43) ALDH1A1RAB9AGNAI3GNAO1GNAI1
SCHEMBL1726021 0.76 L3MBTL1 (0.68) SMN1; SMN2L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL29307070 0.75 L3MBTL1 (0.43) SMN1; SMN2L3MBTL1ALDH1A1NPC1GNAI3
SCHEMBL23267598 0.74 ALDH1A1 (0.53) SMN1; SMN2L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL25581265 0.72 ALDH1A1 (0.42) SMN1; SMN2L3MBTL1ALDH1A1NPC1GNAI3
SCHEMBL12531394 0.71 GRM5 (0.63) SMN1; SMN2L3MBTL1ALDH1A1NPC1RAB9A

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-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
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 SMN1; SMN2 1069/4885L3MBTL1 1414/4885ALDH1A1 2886/4885
US-20130129625-A1 IN VIVO IMAGING AGENTS CCR5, CCR2, CX3CR1 SMN1; SMN2 1069/4885L3MBTL1 1414/4885ALDH1A1 2886/4885
US-20130129626-A1 IN VIVO IMAGING AGENTS CCR5, CCR2, CX3CR1 SMN1; SMN2 1069/4885L3MBTL1 1414/4885ALDH1A1 2886/4885

“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.

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