SCHEMBL92902

SCHEMBL92902

O=C(Nc1ccc(Cl)cc1)N1COC[C@@H]1C(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
ALOX5 P09917 1/20 0.42
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
P2RX7 Q99572 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL77374 0.83 KMT2A (0.46) CCR1TAS1R3TAS1R1TAS1R2ALOX5
SCHEMBL77375 0.83 KMT2A (0.46) CCR1TAS1R3TAS1R1TAS1R2ALOX5
SCHEMBL4203596 0.82 TAS1R3 (0.41) CCR1TAS1R3TAS1R1TAS1R2ALOX5
SCHEMBL2640102 0.82 TAS1R3 (0.41) CCR1TAS1R3TAS1R1TAS1R2ALOX5
SCHEMBL12848284 0.76 TAS1R3 (0.43) CCR1TAS1R3TAS1R1TAS1R2ALOX5
SCHEMBL76384 0.71 F10 (0.56) F10
SCHEMBL76383 0.71 F10 (0.56) F10
SCHEMBL14258090 0.71 P2RX7 (0.61) CCR1ALOX5MEN1GAAKMT2A
SCHEMBL77878 0.70 F10 (0.75) MAPTF10
SCHEMBL77879 0.70 F10 (0.75) MAPTF10

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-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX CCR1 695/4885TAS1R3 2043/4885TAS1R1 1124/4885

“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.