SCHEMBL12531394

SCHEMBL12531394

O=C(Cl)C1CCN(C(=O)COCc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 11/20 0.63
▸ ALDH1A1 P00352 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ POLB P06746 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50

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
SCHEMBL12531397 0.89 L3MBTL1 (0.67) GRM5ALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL4702193 0.83 GRM5 (0.64) GRM5ALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL13316190 0.83 GRM5 (0.64) GRM5ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL4702196 0.83 GRM5 (0.64) GRM5ALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL12531379 0.82 L3MBTL1 (0.62) GRM5ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL13315137 0.81 GRM5 (0.73) GRM5ALDH1A1SMN1; SMN2NPC1
SCHEMBL188053 0.81 SMN1; SMN2 (0.79) ALDH1A1SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13503934 0.80 GRM5 (0.60) GRM5ALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL4830376 0.80 GRM5 (0.71) GRM5ALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL5724695 0.80 GRM5 (0.59) GRM5ALDH1A1SMN1; SMN2NPC1RAB9A

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-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-20110129419-A1 IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2011-06-02 — — 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 (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 GRM5 254/4885ALDH1A1 2886/4885L3MBTL1 1414/4885
US-20130129625-A1 IN VIVO IMAGING AGENTS CCR5, CCR2, CX3CR1 GRM5 254/4885ALDH1A1 2886/4885L3MBTL1 1414/4885
US-20130129626-A1 IN VIVO IMAGING AGENTS CCR5, CCR2, CX3CR1 GRM5 254/4885ALDH1A1 2886/4885L3MBTL1 1414/4885

“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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