SCHEMBL3069018

SCHEMBL3069018

COCCCN1C(=O)C(C)(C)c2ccc(CBr)cc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
REN P00797 4/20 0.35
BACE1 P56817 3/20 0.35
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
ALDH1A1 P00352 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP3A4 P08684 1/20 0.33
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
CPT1B Q92523 1/20 0.33
ATM Q13315 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3074451 0.84 KMT2A (0.40) TDP1RENCYP2D6CYP2C9ALDH1A1
SCHEMBL2245660 0.81 ALDH1A1 (0.44) TDP1RENBACE1CYP2D6CYP2C9
SCHEMBL12354327 0.81 KMT2A (0.39) TDP1RENALDH1A1CPT2CPT1A
SCHEMBL2811094 0.80 REN (0.55) RENCYP2D6CYP2C9ALDH1A1CYP3A4
SCHEMBL507840 0.79 CYP1A2 (0.49) TDP1CYP2D6CYP2C9ALDH1A1RXFP1
SCHEMBL2812260 0.77 REN (0.48) RENCYP2D6CYP2C9CYP3A4KMT2A
SCHEMBL2242021 0.77 CPT1A (0.48) CYP2D6CYP2C9ALDH1A1CYP3A4CPT2
SCHEMBL31559546 0.76 BACE1 (0.45) TDP1BACE1ALDH1A1CPT2CPT1A
SCHEMBL13132260 0.76 BMPR1B (0.44) RENALDH1A1
SCHEMBL12354332 0.75 CYP2D6 (0.48) CYP2D6CYP2C9ALDH1A1CYP3A4SMN1; 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 12 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-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2009-12-31 US disclosed
EP-2049514-A1 NITRATE ESTERS OF PIPERIDINES Speedel Experimenta AG (CH) 2009-04-22 EP 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
EP-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
WO-2008017685-A1 NITRATE ESTERS OF PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2008-02-14 WO 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 (3 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 TDP1 3607/4885REN 1/4885BACE1 725/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 TDP1 3607/4885REN 1/4885BACE1 725/4885
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 TDP1 1420/4885REN 29/4885BACE1 4231/4885

“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.