SCHEMBL5197870

SCHEMBL5197870

CCCCC1CCN(CCC)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 6/20 0.54
CYP1A2 P05177 1/20 0.52
HRH3 Q9Y5N1 2/20 0.51
DRD2 P14416 5/20 0.48
CHRM1 P11229 4/20 0.48
CHRM2 P08172 3/20 0.48
CHRM4 P08173 3/20 0.48
CHRM5 P08912 3/20 0.48
CHRM3 P20309 3/20 0.48
DRD4 P21917 3/20 0.48
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
HRH1 P35367 1/20 0.48
DRD3 P35462 2/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46

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
SCHEMBL26374152 0.94 GNAO1 (0.57) GNAO1CYP1A2HRH3DRD2CHRM1
SCHEMBL31273549 0.93 GNAO1 (0.51) GNAO1CYP1A2HRH3DRD2CHRM1
SCHEMBL31273564 0.93 GNAO1 (0.51) GNAO1CYP1A2HRH3DRD2CHRM1
Acetic Acid SCHEMBL29251905 0.89 CHRM1 (0.51) GNAO1CYP1A2HRH3DRD2CHRM1
SCHEMBL19033278 0.88 GNAO1 (0.50) GNAO1CYP1A2HRH3DRD2CHRM1
SCHEMBL29252643 0.88 CHRM1 (0.47) GNAO1CYP1A2HRH3DRD2CHRM1
SCHEMBL17424060 0.87 GNAO1 (0.59) GNAO1CYP1A2HRH3DRD2CHRM1
SCHEMBL7741719 0.86 GNAO1 (0.49) GNAO1HRH3DRD2CHRM1CHRM2
SCHEMBL23842232 0.86 GNAO1 (0.46) GNAO1CYP1A2HRH3DRD2CHRM1
SCHEMBL14371513 0.86 CYP1A2 (0.57) GNAO1CYP1A2HRH3DRD2CHRM1

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
WO-2023081759-A1 BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
US-20090105212-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2009-04-23 US disclosed
EP-1828176-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2007-09-05 EP disclosed
WO-2006068904-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2006-06-29 WO disclosed
EP-1613321-A2 MUSCARINIC M1 RECEPTOR AGONISTS FOR PAIN MANAGEMENT Acadia Pharmaceuticals Inc. (US) 2006-01-11 EP disclosed
US-20050130961-A1 Muscarinic M1 receptor agonists for pain management ACADIA PHARMACEUTICALS INC. 2005-06-16 US disclosed
WO-2004087158-A2 MUSCARINIC M1 RECEPTOR AGONISTS FOR PAIN MANAGEMENT ACADIA PHARMACEUTICALS INC. (US) 2004-10-14 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-20050130961-A1 Muscarinic M1 receptor agonists for pain management CHRM1, CHRM3, CHRM2 GNAO1 318/4885CYP1A2 1156/4885HRH3 272/4885
US-20090105212-A1 NOVEL ADENINE COMPOUND XDH, ADORA1, NUDT1 GNAO1 239/4885CYP1A2 164/4885HRH3 162/4885

“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.