SCHEMBL5345134

SCHEMBL5345134

Cc1cccc2c(OCCCl)noc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.44
FFAR1 O14842 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
SSTR4 P31391 3/20 0.34
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
ACHE P22303 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL13481196 0.86 CYP17A1 (0.50) CYP17A1SMN1; SMN2FFAR1FAAHMGLL
SCHEMBL5618398 0.85 CYP17A1 (0.49) CYP17A1SMN1; SMN2FFAR1FAAHMGLL
Hydrochloric Acid SCHEMBL6996249 0.84 CYP17A1 (0.48) CYP17A1SMN1; SMN2FFAR1FAAHMGLL
SCHEMBL6961811 0.76 SMN1; SMN2 (0.46) CYP17A1SMN1; SMN2FFAR1FAAHMGLL
SCHEMBL5331706 0.74 FAAH (0.65) SMN1; SMN2FAAHMGLLSSTR4ACHE
SCHEMBL6988571 0.73 CA12 (0.43) CYP17A1SMN1; SMN2FFAR1SSTR4
SCHEMBL5335444 0.72 HTR1A (0.47) FAAHMGLLHTR1AHTR2AACHE
SCHEMBL1759331 0.70 SMN1; SMN2 (0.44) CYP17A1SMN1; SMN2FFAR1SSTR4CYP1A2
SCHEMBL5617847 0.70 CYP17A1 (0.41) CYP17A1FAAHMGLLHTR2A
SCHEMBL6987832 0.70 SMN1; SMN2 (0.54) CYP17A1SMN1; SMN2FFAR1SSTR4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155795-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2007-07-05 US disclosed
US-7238713-B2 Muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
EP-1535912-A1 Muscarinic agonists Arcadia Pharmaceuticals Inc. (US) 2005-06-01 EP disclosed
US-20050113357-A1 Muscarinic agonists ANDERSON CARL-MAGNUS A (DK) 2005-05-26 US disclosed
EP-1278741-B1 MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-03-02 EP disclosed
US-6627645-B2 Cholinergic agents ACADIA PHARMACEUTICALS, INC. 2003-09-30 US disclosed
EP-1278741-A1 MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2003-01-29 EP disclosed
US-20020037886-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2002-03-28 US disclosed
WO-2001083472-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2001-11-08 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 (3 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-20020037886-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 CYP17A1 1408/4885SMN1; SMN2 590/4885FFAR1 352/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 CYP17A1 1408/4885SMN1; SMN2 590/4885FFAR1 352/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 CYP17A1 1408/4885SMN1; SMN2 590/4885FFAR1 352/4885

“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.