SCHEMBL5728068

SCHEMBL5728068

C=CCN1CCCC1C#N

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.40
PREP P48147 1/20 0.36
DRD2 P14416 2/20 0.35
DRD3 P35462 1/20 0.35
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 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
SCHEMBL2089890 0.76 PRCP (0.33)
SCHEMBL11146381 0.75
SCHEMBL11279013 0.74 DRD2 (0.34) DRD2DRD3
SCHEMBL4434550 0.74
SCHEMBL2605419 0.74
SCHEMBL2852701 0.74
SCHEMBL15238182 0.74
SCHEMBL10498523 0.73 DPP4 (0.32) DPP4
SCHEMBL5580304 0.73 HTR1A (0.44) DRD2
SCHEMBL9685949 0.71

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-20060063932-A1 Aminoalkylpyrrolidine serotonin receptor ligands and compositions, their pharmaceutical uses, and methods for their synthesis RUI YUANJIN 2006-03-23 US disclosed
EP-1339677-B1 AMINOALKYLPYRROLIDINE SEROTONIN RECEPTOR LIGANDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND METHODS FOR THEIR SYNTHESIS WARNER LAMBERT CO (US) 2006-01-04 EP disclosed
US-20040039044-A1 Aminoalkylpyrrolidine serotonin receptor ligands and compositions, their pharmaceutical uses, and methods for their synthesis RUI YUANJIN (US) 2004-02-26 US disclosed
EP-1339677-A1 AMINOALKYLPYRROLIDINE SEROTONIN RECEPTOR LIGANDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND METHODS FOR THEIR SYNTHESIS Warner-Lambert Company LLC (US) 2003-09-03 EP disclosed
WO-2002036560-A1 AMINOALKYLPYRROLIDINE SEROTONIN RECEPTOR LIGANDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND METHODS FOR THEIR SYNTHESIS WARNER-LAMBERT COMPANY LLC (US) 2002-05-10 WO disclosed
EP-0000106-B1 2-ALKYL NICOTINOIDS AND PROCESSES FOR THEIR PRODUCTION AND USE PHILIP MORRIS INCORPORATED (US) 1982-02-17 EP disclosed
US-4220781-A QUARTINIZATION, REARRANGEMENT AND REDUCTION PHILIP MORRIS, INC. (US) 1980-09-02 US disclosed
US-4155909-A INSECTICIDES PHILIP MORRIS INCORPORATED (US) 1979-05-22 US disclosed
EP-0000106-A1 2-Alkyl nicotinoids and processes for their production and use PHILIP MORRIS INCORPORATED (US) 1978-12-20 EP 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-20060063932-A1 Aminoalkylpyrrolidine serotonin receptor ligands and compositions, their pharmaceutical uses, and methods for their synthesis HTR7, HTR5A, HTR1A DPP4 2044/4885PREP 861/4885DRD2 44/4885
US-20040039044-A1 Aminoalkylpyrrolidine serotonin receptor ligands and compositions, their pharmaceutical uses, and methods for their synthesis HTR7, HTR5A, HTR1A DPP4 1934/4885PREP 853/4885DRD2 38/4885

“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.