SCHEMBL4496558

SCHEMBL4496558

O=C(CCCN1CCCC1)c1ccc(F)cc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.76
HTR1A P08908 5/20 0.72
DRD3 P35462 5/20 0.72
DRD1 P21728 3/20 0.72
ADRA2A P08913 2/20 0.72
ADRA1A P35348 2/20 0.72
OPRM1 P35372 2/20 0.72
KCNH2 Q12809 2/20 0.72
HRH3 Q9Y5N1 2/20 0.72
MEN1 O00255 1/20 0.72
CHRM2 P08172 1/20 0.72
KMT2A Q03164 1/20 0.72
DRD2 P14416 6/20 0.68
DRD4 P21917 3/20 0.67
HTR2A P28223 3/20 0.67
HTR2C P28335 3/20 0.67
HRH1 P35367 3/20 0.67
TMEM97 Q5BJF2 2/20 0.67
SIGMAR1 Q99720 2/20 0.67
SLC6A4 P31645 2/20 0.67

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
Primaperone SCHEMBL310299 0.98 TSHR (0.74) TSHRHTR1ADRD3DRD1ADRA2A
Primaperone SCHEMBL364809 0.97 TSHR (0.76) TSHRHTR1ADRD3DRD1ADRA2A
Primaperone SCHEMBL30110541 0.91 TSHR (0.68) TSHRHTR1ADRD3DRD1ADRA2A
SCHEMBL7350313 0.90 ALDH1A1 (0.68) TSHRHTR1ADRD3DRD1ADRA2A
SCHEMBL11755100 0.89 ALDH1A1 (0.71) TSHRHTR1AADRA1AKCNH2HRH3
SCHEMBL28432024 0.88 TSHR (0.72) TSHRHTR1ADRD3DRD1ADRA2A
SCHEMBL16986166 0.88 TSHR (0.97) TSHRHTR1ADRD3DRD1ADRA2A
Hydrochloric Acid SCHEMBL16986196 0.86 TSHR (1.00) TSHRHTR1ADRD3DRD1ADRA2A
SCHEMBL7755956 0.86 TSHR (0.70) TSHRHTR1ADRD3DRD1ADRA2A
SCHEMBL16986158 0.86 TSHR (0.70) TSHRHTR1ADRD3DRD1ADRA2A

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 TSHR 80/4885HTR1A 147/4885DRD3 687/4885
US-20030144285-A1 Compounds with activity on muscarinic receptors CHRM3, CHRM2, CHRM1 TSHR 80/4885HTR1A 147/4885DRD3 687/4885

“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.