SCHEMBL6309643

SCHEMBL6309643

Cc1cc(F)ccc1C1NCC2CN(Cc3ccccc3)CC21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
BCHE P06276 3/20 0.38
ACHE P22303 3/20 0.38
BACE1 P56817 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
KCNH2 Q12809 1/20 0.38
FUCA1 P04066 2/20 0.37
CCR5 P51681 1/20 0.36
DPP4 P27487 1/20 0.36
PDE9A O76083 1/20 0.36
GRIN2B Q13224 2/20 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
SCHEMBL6318835 0.86 DRD2 (0.43) DRD2DRD3FUCA1GRIN2B
SCHEMBL5747922 0.86 DRD2 (0.46) DRD2DRD3BCHEACHEBACE1
SCHEMBL6312037 0.77 KDM1A (0.46) DRD2DRD3ACHEFUCA1CCR5
SCHEMBL5746448 0.75 DRD2 (0.44) DRD2DRD3ACHEMEN1KMT2A
SCHEMBL13196701 0.74 DRD2 (0.41) DRD2DRD3BCHEACHEBACE1
SCHEMBL13201180 0.74 DRD2 (0.41) DRD2DRD3BCHEACHEBACE1
SCHEMBL2803299 0.74 DRD2 (0.41) DRD2DRD3BCHEACHEBACE1
SCHEMBL1203774 0.73 DPP4 (0.60) DRD2DRD3BCHEACHEBACE1
SCHEMBL1203772 0.73 DPP4 (0.60) DRD2DRD3BCHEACHEBACE1
SCHEMBL25391591 0.73 FUCA1 (0.45) DRD2DRD3ACHEFUCA1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 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 (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-20050043354-A1 NK1 antagonist TACR2, TACR1, TAC3 DRD2 701/4885DRD3 948/4885BCHE 1258/4885

“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.