SCHEMBL4503283

SCHEMBL4503283

CCCC1CCCCN1CCCC#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.47
S1PR3 Q99500 3/20 0.47
S1PR5 Q9H228 3/20 0.47
S1PR4 O95977 1/20 0.43
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.35
SLC6A4 P31645 1/20 0.34
CYP19A1 P11511 1/20 0.33
CYP1A2 P05177 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SPHK2 Q9NRA0 2/20 0.33
SPHK1 Q9NYA1 2/20 0.33
OPRD1 P41143 2/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33

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
SCHEMBL8193376 0.83 S1PR1 (0.57) S1PR1S1PR3S1PR5S1PR4TSHR
Cyanide SCHEMBL30330726 0.82 S1PR1 (0.54) S1PR1S1PR3S1PR5S1PR4TSHR
Cyanide SCHEMBL30330343 0.81 S1PR1 (0.56) S1PR1S1PR3S1PR5S1PR4TSHR
SCHEMBL9824458 0.81 MAPT (0.37) S1PR1S1PR3S1PR5S1PR4MAPT
SCHEMBL9825232 0.80 MAPT (0.39) S1PR1S1PR3S1PR5S1PR4MAPT
SCHEMBL7027761 0.79 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4TSHR
Cyanide SCHEMBL30213102 0.79 S1PR1 (0.58) S1PR1S1PR3S1PR5S1PR4TSHR
Cyanide SCHEMBL30330627 0.79 S1PR1 (0.58) S1PR1S1PR3S1PR5S1PR4TSHR
Cyanide SCHEMBL30330614 0.79 S1PR1 (0.58) S1PR1S1PR3S1PR5S1PR4TSHR
Fluoride SCHEMBL30330136 0.79 S1PR1 (0.61) S1PR1S1PR3S1PR5S1PR4HSD17B10

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 5 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

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 S1PR1 198/4885S1PR3 255/4885S1PR5 231/4885
US-20030144285-A1 Compounds with activity on muscarinic receptors CHRM3, CHRM2, CHRM1 S1PR1 198/4885S1PR3 255/4885S1PR5 231/4885

“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.