SCHEMBL3087402

SCHEMBL3087402

COc1ccccc1CCOCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.44
GPR119 Q8TDV5 5/20 0.40
TACR1 P25103 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX3 P56373 2/20 0.38
USP7 Q93009 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
APOBEC3A P31941 1/20 0.38
RAB9A P51151 1/20 0.38
APOBEC3G Q9HC16 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
SCHEMBL3069362 0.89 PDE4B (0.49) PDE4BGPR119
SCHEMBL4603467 0.89 PDE4B (0.49) PDE4BGPR119
SCHEMBL3070165 0.89 MEN1 (0.41) TACR1MEN1KMT2AALDH1A1NPC1
SCHEMBL3084695 0.88 PDE4B (0.42) PDE4BGPR119TACR1P2RX3ALDH1A1
SCHEMBL3072042 0.86 PDE4B (0.40) PDE4BGPR119TACR1P2RX3NPC1
SCHEMBL3065750 0.86 PDE4B (0.54) PDE4BGPR119TACR1MEN1KMT2A
SCHEMBL3073950 0.86 PDE4B (0.56) PDE4BGPR119TACR1MEN1KMT2A
SCHEMBL3078630 0.83 PDE4B (0.41) PDE4BTACR1KMT2ANPC1APOBEC3A
SCHEMBL3069725 0.82 GPR119 (0.40) PDE4BGPR119MEN1KMT2ARAB9A
SCHEMBL3059539 0.82 PDE4B (0.52) PDE4BGPR119TACR1

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 312/4885GPR119 729/4885TACR1 93/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 PDE4B 312/4885GPR119 729/4885TACR1 93/4885

“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.