SCHEMBL708352

SCHEMBL708352

CC(C)C(=O)N[C@@H](CC=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 4/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCR5 P51681 1/20 0.43
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
SOAT1 P35610 1/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL29956325 0.83 KMT2A (0.49) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL29952474 0.83 KMT2A (0.49) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL1273278 0.83 ALDH1A1 (0.42) ALDH1A1LMNAKMT2ASMN1; SMN2SOAT1
SCHEMBL253718 0.83 ALDH1A1 (0.42) ALDH1A1LMNAKMT2ASMN1; SMN2SOAT1
SCHEMBL11996779 0.81 GPR88 (0.62) GPR88METAP2METAP1
SCHEMBL14521519 0.81 ALDH1A1 (0.58) GPR88ALDH1A1LMNAMEN1KMT2A
SCHEMBL13035553 0.81 GPR88 (0.62) GPR88METAP2METAP1
SCHEMBL13302598 0.81 ALDH1A1 (0.58) GPR88ALDH1A1LMNAMEN1KMT2A
SCHEMBL11996754 0.81 GPR88 (0.62) GPR88METAP2METAP1
SCHEMBL2786917 0.79 KDM4E (0.55) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

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-8124613-B2 Spirotropane compounds VIROCHEM PHARMA INC. (CA) 2012-02-28 US disclosed
US-20110105546-A1 SPIROTROPANE COMPOUNDS VIROCHEM PHARMA INC. (CA) 2011-05-05 US disclosed
WO-2007143847-A1 SPIROTROPANE COMPOUNDS VIROCHEM PHARMA INC. (CA) 2007-12-21 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-20110105546-A1 SPIROTROPANE COMPOUNDS CCR5, CXCR1, CXCR2 GPR88 155/4885ALDH1A1 622/4885LMNA 2735/4885

“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.