SCHEMBL3071120

SCHEMBL3071120

COCCCN1C(=O)CCc2ccc(COC3CN(C(=O)O)CCC3c3ccc(O)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.39
REN P00797 3/20 0.36
CYP3A4 P08684 1/20 0.36
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL3205328 0.90 REN (0.40) CHRM1RENCYP3A4
SCHEMBL3074134 0.90 CHRM1 (0.41) CHRM1RENCYP3A4
SCHEMBL3072851 0.90 CHRM1 (0.35) CHRM1RENCYP3A4CHRM4CHRM5
SCHEMBL3083202 0.90 REN (0.39) CHRM1RENCYP3A4
SCHEMBL3071453 0.89 CHRM1 (0.38) CHRM1RENCYP3A4
SCHEMBL3079632 0.89 REN (0.40) CHRM1RENCYP3A4
SCHEMBL3064999 0.87 REN (0.46) CHRM1RENCYP3A4DRD2DRD4
SCHEMBL3084943 0.87 REN (0.44) CHRM1RENCYP3A4DRD2DRD4
SCHEMBL3073886 0.87 REN (0.43) CHRM1RENCYP3A4
SCHEMBL3083602 0.87 REN (0.40) CHRM1RENCYP3A4

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 4 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
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 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 (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 1675/4885REN 1/4885CYP3A4 29/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 CHRM1 1675/4885REN 1/4885CYP3A4 29/4885

“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.