SCHEMBL3247074

SCHEMBL3247074

CC(C)(C)OC(=O)N1CC[C@@H](CCSc2nnnn2-c2ccccc2)[C@@H](C(O)CO)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
TSHR P16473 3/20 0.41
POLB P06746 3/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
LMNA P02545 3/20 0.39
THRB P10828 3/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5448476 0.79 ALDH1A1 (0.43) ALDH1A1TSHRPOLBGAAMEN1
SCHEMBL3253748 0.79 ALDH1A1 (0.43) ALDH1A1TSHRPOLBGAAMEN1
SCHEMBL12897363 0.69 GPR119 (0.53) ALDH1A1TSHRPOLBGAAMEN1
SCHEMBL3246058 0.69 RECQL (0.37) ALDH1A1MEN1MAPTKMT2AGPR119
SCHEMBL3557759 0.68 GPR119 (0.57) POLBGAAMEN1MAPTKMT2A
SCHEMBL632936 0.68 GPR119 (0.47) ALDH1A1POLBMAPTGPR119LMNA
SCHEMBL3249302 0.68 GPR119 (0.41) ALDH1A1POLBGAAMAPTGPR119
SCHEMBL19197298 0.66 ALDH1A1 (0.45) ALDH1A1TSHRPOLBMEN1MAPT
SCHEMBL1279402 0.66 GPR119 (0.51) ALDH1A1GAAMAPTGPR119THRB
SCHEMBL1279405 0.66 GPR119 (0.51) ALDH1A1GAAMAPTGPR119THRB

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 2606/4885TSHR 1940/4885POLB 834/4885

“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.