SCHEMBL3074350

SCHEMBL3074350

COc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MMP9 P14780 4/20 0.52
MMP1 P03956 3/20 0.52
MMP3 P08254 3/20 0.52
MMP7 P09237 2/20 0.52
MMP13 P45452 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
MMP2 P08253 1/20 0.51
MMP8 P22894 1/20 0.51
CYP2C19 P33261 1/20 0.50
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
GRIN2B Q13224 1/20 0.49
ADAM17 P78536 1/20 0.49
ADAM9 Q13443 1/20 0.49
CHRM2 P08172 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
SCHEMBL3068263 0.90 SMN1; SMN2 (0.53) PDE4BMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL8315416 0.90 SMN1; SMN2 (0.60) PDE4BMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL8315408 0.90 SMN1; SMN2 (0.60) PDE4BMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL8315413 0.90 SMN1; SMN2 (0.60) PDE4BMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL3070273 0.89 SMN1; SMN2 (0.56) PDE4BMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL3060281 0.88 SMN1; SMN2 (0.55) PDE4BMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL11230738 0.85 SMN1; SMN2 (0.54) PDE4BMEN1KMT2AMMP9MMP1
SCHEMBL11230741 0.85 SMN1; SMN2 (0.54) PDE4BMEN1KMT2AMMP9MMP1
SCHEMBL3079319 0.85 SMN1; SMN2 (0.47) PDE4BMEN1KMT2AMMP9MMP1
SCHEMBL3071933 0.85 SMN1; SMN2 (0.47) PDE4BMEN1KMT2ASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (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-20090012055-A1 Organic compounds REN, ACE, ACE2 PDE4B 312/4885MEN1 2817/4885KMT2A 3839/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 PDE4B 312/4885MEN1 2817/4885KMT2A 3839/4885

“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.