SCHEMBL4500757

SCHEMBL4500757

CCCCC1CCN(CCCC#N)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 5/20 0.49
HRH3 Q9Y5N1 2/20 0.47
MAPT P10636 1/20 0.46
CHRM1 P11229 6/20 0.45
CHRM5 P08912 5/20 0.45
CHRM3 P20309 5/20 0.45
CHRM2 P08172 4/20 0.45
CHRM4 P08173 4/20 0.45
DRD2 P14416 4/20 0.45
DRD4 P21917 4/20 0.45
DRD3 P35462 3/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
HRH1 P35367 1/20 0.44

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
SCHEMBL26505364 0.92 ALDH1A1 (0.50) GNAO1HRH3MAPTCHRM1CHRM5
Cyanide SCHEMBL30213081 0.81 GNAO1 (0.61) GNAO1HRH3CHRM1CHRM5CHRM3
SCHEMBL10282362 0.81 ALDH1A1 (0.54) GNAO1HRH3MAPTCHRM1CHRM5
SCHEMBL4387600 0.80 ALDH1A1 (0.58) GNAO1MAPTTSHRALDH1A1PKM
SCHEMBL5197870 0.80 GNAO1 (0.54) GNAO1HRH3CHRM1CHRM5CHRM3
SCHEMBL4500532 0.80 MAPT (0.57) GNAO1MAPTDRD2DRD3TSHR
SCHEMBL17424060 0.80 GNAO1 (0.59) GNAO1HRH3CHRM1CHRM5CHRM3
Cyanide SCHEMBL30212624 0.79 GNAO1 (0.64) GNAO1HRH3CHRM1CHRM5CHRM3
Cyanide SCHEMBL30212746 0.79 GNAO1 (0.64) GNAO1HRH3CHRM1CHRM5CHRM3
Hydrochloric Acid SCHEMBL30330489 0.79 GNAO1 (0.73) GNAO1HRH3CHRM1CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102558026-A Synthesis and optimized process of 4-N-butyl-1-[4-(2-methylphenyl)-4-one-1-butyl]piperidine. N-benzyl-4-piperidone (1) CGENE TECH SUZHOU CHINA CO LTD 2012-07-11 CN claimed
CN-102558026-A Synthesis and optimized process of 4-N-butyl-1-[4-(2-methylphenyl)-4-one-1-butyl]piperidine. N-benzyl-4-piperidone (1) CGENE TECH SUZHOU CHINA CO LTD 2012-07-11 CN disclosed
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
CN-1303376-A Compound with activity on muscarinic receptors ACADIA PHARMACEUTICAL INC (US) 2001-07-11 CN 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 GNAO1 253/4885HRH3 54/4885MAPT 2400/4885
US-20030144285-A1 Compounds with activity on muscarinic receptors CHRM3, CHRM2, CHRM1 GNAO1 253/4885HRH3 54/4885MAPT 2400/4885

“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.