SCHEMBL3252131

SCHEMBL3252131

C=C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CCSc1nnnn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.44
GAA P10253 2/20 0.43
TSHR P16473 3/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
THRB P10828 2/20 0.41
LMNA P02545 3/20 0.40
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL3247074 0.84 ALDH1A1 (0.43) ALDH1A1GAATSHRPOLBMEN1
SCHEMBL3249302 0.84 GPR119 (0.41) ALDH1A1GAAPOLBMAPTGPR119
SCHEMBL3253748 0.80 ALDH1A1 (0.43) ALDH1A1GAATSHRPOLBMEN1
SCHEMBL5448476 0.80 ALDH1A1 (0.43) ALDH1A1GAATSHRPOLBMEN1
SCHEMBL5454076 0.73 GPR119 (0.41) GAAPOLBGPR119SMN1; SMN2THRB
SCHEMBL5186931 0.72 MEN1 (0.39) ALDH1A1MEN1MAPTKMT2AGPR119
SCHEMBL6977617 0.72 MEN1 (0.39) ALDH1A1MEN1MAPTKMT2AGPR119
SCHEMBL3246480 0.72 NR1H2 (0.41) ALDH1A1MEN1MAPTKMT2AGPR119
SCHEMBL3244534 0.72 NR1H2 (0.41) ALDH1A1MEN1MAPTKMT2AGPR119
SCHEMBL12897363 0.70 GPR119 (0.53) ALDH1A1GAATSHRPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799674-B1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-05 EP disclosed
US-20070173532-A1 New Piperidine Antibiotics ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-26 US disclosed
EP-1799674-A1 NEW PIPERIDINE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
WO-2006038172-A1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-04-13 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 (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-20070173532-A1 New Piperidine Antibiotics OPRM1, SIGMAR1, CBR3 ALDH1A1 2606/4885GAA 3929/4885TSHR 1940/4885

“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.