SCHEMBL13201180

SCHEMBL13201180

Cc1ccccc1C1NCCC2CN(Cc3ccccc3)C[C@H]21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
SIGMAR1 Q99720 2/20 0.39
HTR2C P28335 2/20 0.38
ACHE P22303 3/20 0.38
FUCA1 P04066 2/20 0.38
BCHE P06276 2/20 0.37
BACE1 P56817 2/20 0.37
SCN4A P35499 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL13196701 1.00 DRD2 (0.41) DRD2DRD3SIGMAR1HTR2CACHE
SCHEMBL2803299 1.00 DRD2 (0.41) DRD2DRD3SIGMAR1HTR2CACHE
SCHEMBL6318835 0.88 DRD2 (0.43) DRD2DRD3SIGMAR1FUCA1
SCHEMBL13201302 0.78 ACHE (0.44) DRD2DRD3ACHEBCHEBACE1
SCHEMBL2801063 0.78 ACHE (0.44) DRD2DRD3ACHEBCHEBACE1
SCHEMBL13196676 0.78 ACHE (0.44) DRD2DRD3ACHEBCHEBACE1
SCHEMBL5811952 0.77 DRD2 (0.42) DRD2DRD3SIGMAR1FUCA1
SCHEMBL705179 0.76 FUCA1 (0.47) DRD2DRD3SIGMAR1FUCA1SCN4A
SCHEMBL6309643 0.74 DRD2 (0.47) DRD2DRD3ACHEFUCA1BCHE
SCHEMBL12181407 0.74 ACHE (0.44) DRD2DRD3SIGMAR1ACHEFUCA1

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 2 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
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 DRD2 75/4885DRD3 135/4885SIGMAR1 698/4885

“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.