SCHEMBL4510032

SCHEMBL4510032

Cc1cc(F)ccc1C(=O)CCCN1CC(C)CC(C)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.51
MEN1 O00255 1/20 0.51
CHRM2 P08172 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
DRD1 P21728 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRM1 P35372 1/20 0.51
KMT2A Q03164 1/20 0.51
KCNH2 Q12809 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
TSHR P16473 1/20 0.44
DRD2 P14416 4/20 0.44
DRD4 P21917 3/20 0.44
HTR7 P34969 4/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2D6 P10635 1/20 0.41

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
SCHEMBL27541728 0.85 DRD3 (0.46) DRD3MEN1CHRM2HTR1AADRA2A
SCHEMBL4501475 0.83 DRD3 (0.71) DRD3MEN1CHRM2HTR1AADRA2A
SCHEMBL4508385 0.82 CHRM1 (0.58) DRD3MEN1CHRM2HTR1AADRA2A
SCHEMBL11378107 0.79 NPC1 (0.53) DRD3MEN1CHRM2HTR1AADRA2A
SCHEMBL4487124 0.79 HTR7 (0.57) MEN1CHRM2HTR1AADRA2AADRA1A
SCHEMBL4494357 0.76 CHRM1 (0.72) DRD3MEN1CHRM2HTR1AADRA2A
SCHEMBL23891802 0.73 NPC1 (0.49) DRD2HTR7THRB
SCHEMBL14540261 0.73 HTR7 (0.56) MEN1KMT2AHTR7ALDH1A1THRB
SCHEMBL27559644 0.72 HTR7 (0.52) DRD3MEN1CHRM2HTR1AADRA2A
SCHEMBL11378583 0.71 ALDH1A1 (0.76) DRD3MEN1HTR1AADRA1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485651-B2 Compounds with activity on muscarinic receptors ACADIA PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
US-20080108618-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS BRANN MARK 2008-05-08 US disclosed
US-20030144285-A1 Compounds with activity on muscarinic receptors BRANN MARK (US) 2003-07-31 US disclosed
US-6528529-B1 4-Methoxy-1-(4-(2-methylphenyl)-4-oxo-1-butyl)piperidine ACADIA PHARMACEUTICALS INC. 2003-03-04 US disclosed
WO-2001005763-A2 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS ACADIA PHARMACEUTICALS, INC. (US) 2001-01-25 WO disclosed
EP-1068185-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS Acadia Pharmaceuticals Inc. (US) 2001-01-17 EP disclosed
WO-1999050247-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS ACADIA PHARMACEUTICALS, INC. (US) 1999-10-07 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 (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-20080108618-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS CHRM3, CHRM2, CHRM1 DRD3 687/4885MEN1 539/4885CHRM2 2/4885
US-20030144285-A1 Compounds with activity on muscarinic receptors CHRM3, CHRM2, CHRM1 DRD3 687/4885MEN1 539/4885CHRM2 2/4885

“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.