SCHEMBL3071775

SCHEMBL3071775

COCCCN1C(=O)CCc2ccc(CO)cc21

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.42
SLC6A4 P31645 2/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2813423 0.89 CTSC (0.45) SLC6A4HPGDHTTSMN1; SMN2
SCHEMBL3081117 0.88 SLC6A4 (0.42) CHRM1SLC6A4GRIN1GRIN2B
SCHEMBL6721467 0.85 GRIN1 (0.42) CHRM1GRIN1GRIN2BHPGDHTT
SCHEMBL89081 0.83 TSHR (0.47) CHRM1GRIN1GRIN2B
SCHEMBL8265234 0.82 ATAD2 (0.50) CHRM1GRIN1GRIN2B
SCHEMBL2339596 0.78 TSHR (0.56) HTT
SCHEMBL6728543 0.77 CHRM1 (0.51) CHRM1
SCHEMBL16682651 0.77 HTR2A (0.46)
SCHEMBL8285646 0.77 BACE1 (0.38)
SCHEMBL89352 0.76 CHRM1 (0.44) CHRM1GRIN1GRIN2BHPGDHTT

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 9 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-1707202-A1 Organic compounds Speedel Experimenta AG (CH) 2006-10-04 EP 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
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 CHRM1 1675/4885SLC6A4 508/4885GRIN1 1811/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 CHRM1 1675/4885SLC6A4 508/4885GRIN1 1811/4885

“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.