SCHEMBL3069820

SCHEMBL3069820

COCCCC(OC1CN(C(=O)O)CCC1c1ccc(OCCCOc2ccccc2C#N)cc1)c1ccc2c(c1)NC(=O)CC2

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.40
DRD3 P35462 8/20 0.39
DRD4 P21917 7/20 0.39
HTR2A P28223 2/20 0.38
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35

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
SCHEMBL3080323 0.99 DRD2 (0.42) DRD2DRD3DRD4HTR2AMAOA
SCHEMBL3418852 0.92 DRD2 (0.40) DRD2DRD3DRD4HTR2A
SCHEMBL3066434 0.91 DRD2 (0.41) DRD2DRD3DRD4HTR2A
SCHEMBL3085665 0.91 DRD2 (0.40) DRD2DRD3DRD4MAOAMAOB
SCHEMBL3065004 0.91 DRD2 (0.45) DRD2DRD3DRD4MAOAMAOB
SCHEMBL3073888 0.90 DRD2 (0.41) DRD2DRD3DRD4MAOAMAOB
SCHEMBL3079636 0.90 DRD2 (0.37) DRD2DRD3DRD4MAOAMAOB
SCHEMBL3415063 0.90 DRD2 (0.41) DRD2DRD3DRD4MAOAMAOB
SCHEMBL3070389 0.90 DRD2 (0.41) DRD2DRD3DRD4MAOAMAOB
SCHEMBL3065758 0.90 DRD2 (0.41) DRD2DRD3DRD4HTR2AMAOA

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 5 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

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 DRD2 425/4885DRD3 615/4885DRD4 532/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 DRD2 425/4885DRD3 615/4885DRD4 532/4885

“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.