SCHEMBL2801063

SCHEMBL2801063

Fc1ccc(C2NCCC3CN(Cc4ccccc4)CC32)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.44
BACE1 P56817 4/20 0.44
BCHE P06276 3/20 0.44
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
DRD4 P21917 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL13196676 1.00 ACHE (0.44) ACHEBACE1BCHEDRD2DRD3
SCHEMBL13201302 1.00 ACHE (0.44) ACHEBACE1BCHEDRD2DRD3
SCHEMBL2803299 0.78 DRD2 (0.41) ACHEBACE1BCHEDRD2DRD3
SCHEMBL13201180 0.78 DRD2 (0.41) ACHEBACE1BCHEDRD2DRD3
SCHEMBL13196701 0.78 DRD2 (0.41) ACHEBACE1BCHEDRD2DRD3
SCHEMBL6312037 0.78 KDM1A (0.46) ACHEDRD2DRD3
SCHEMBL16422537 0.77 ACHE (0.49) ACHEBACE1BCHEDRD2DRD3
SCHEMBL5988675 0.76 FUCA1 (0.47) ACHEBACE1BCHEDRD2DRD3
SCHEMBL3174670 0.76 FUCA1 (0.47) ACHEBACE1BCHEDRD2DRD3
SCHEMBL5991010 0.76 FUCA1 (0.47) ACHEBACE1BCHEDRD2DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197724-A1 6.5 -PYRROLOPIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS BAO JIANMING 2010-08-05 US disclosed
EP-2170064-A1 6.5-PYRROLOPIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2009002770-A1 6.5-PYRROLOPIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-12-31 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 (1 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-20100197724-A1 6.5 -PYRROLOPIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS TACR1, TACR2, HTR1D ACHE 1579/4885BACE1 1178/4885BCHE 2721/4885

“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.