SCHEMBL3001297

SCHEMBL3001297

NC(=O)c1ccc(C(=O)N2CCC(O)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.60
GRM3 Q14832 1/20 0.55
PARP10 Q53GL7 2/20 0.53
L3MBTL3 Q96JM7 6/20 0.53
MBTD1 Q05BQ5 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
TP53BP1 Q12888 1/20 0.53
L3MBTL4 Q8NA19 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52
NAMPT P43490 1/20 0.52
GAA P10253 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49

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
SCHEMBL2993886 0.90 HDAC4 (0.54) GRM5GRM3PARP10L3MBTL3MBTD1
SCHEMBL3001302 0.86 MGLL (0.61) GRM5GRM3L3MBTL3MBTD1L3MBTL1
SCHEMBL538998 0.85 ALDH1A1 (0.61) PARP10SMN1; SMN2POLBALDH1A1HPGD
SCHEMBL3004294 0.84 SMN1; SMN2 (0.72) PARP10SMN1; SMN2NAMPTGAATDP1
SCHEMBL11007666 0.82 MGLL (0.71) GRM5POLBALDH1A1HPGD
SCHEMBL5880849 0.82 HPGD (0.68) GRM5GRM3L3MBTL3MBTD1L3MBTL1
SCHEMBL12074789 0.82 KMT2A (0.71) GRM5GRM3L3MBTL3MBTD1L3MBTL1
SCHEMBL30967272 0.82 HSD11B1 (0.71) GRM5L3MBTL1SMN1; SMN2GAAPOLB
SCHEMBL306320 0.82 GRM5 (0.60) GRM5GRM3L3MBTL3MBTD1L3MBTL1
SCHEMBL8161941 0.82 MGLL (0.61) GRM5GRM3L3MBTL3MBTD1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 GRM5 4379/4885GRM3 4506/4885PARP10 1443/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 GRM5 4379/4885GRM3 4506/4885PARP10 1443/4885

“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.