SCHEMBL89034

SCHEMBL89034

COC(=O)[C@H]1C[C@@H](C(=O)O)CN(C)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
HIF1A Q16665 1/20 0.35
MMP2 P08253 1/20 0.35
ANPEP P15144 1/20 0.35
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL5909381 0.85 ALDH1A1 (0.41) SMN1; SMN2CYP1A2
SCHEMBL12440677 0.85 ALDH1A1 (0.41) SMN1; SMN2CYP1A2
SCHEMBL9965973 0.83
SCHEMBL21670361 0.81 BRD4 (0.39) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL18566781 0.81 BRD4 (0.44) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL21910059 0.79 BRD4 (0.43) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1297377 0.79 CHRNB2 (0.54) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7472907 0.79 CHRNB2 (0.54) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7472913 0.79 CHRNB2 (0.54) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17710064 0.79 CHRNB2 (0.54) BRD4CHRNB2CHRNA4CHRNB4CHRNA3

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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 BRD4 603/4885CHRNB2 4179/4885CHRNA4 3331/4885

“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.