SCHEMBL5335320

SCHEMBL5335320

COc1cccc2[nH]nc(CCCCl)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.43
▸ TTK P33981 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SLC2A1 P11166 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPK8 P45983 2/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35

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
SCHEMBL30565927 0.82 HTR2A (0.55) HTR2ATTKMEN1HPGDKMT2A
SCHEMBL25243365 0.82 HTR2A (0.55) HTR2ATTKMEN1HPGDKMT2A
SCHEMBL30566011 0.80 HTR6 (0.57) HTR2ATTKHPGDHTR6ALDH1A1
SCHEMBL25248703 0.80 HTR6 (0.57) HTR2ATTKHPGDHTR6ALDH1A1
SCHEMBL25292178 0.78 ALDH1A1 (0.45) HTR2ATTKHPGDHTR6SLC2A1
SCHEMBL25251586 0.77 HTR6 (0.41) HTR2ATTKHPGDHTR6SLC2A1
SCHEMBL30566020 0.77 HTR6 (0.41) HTR2ATTKHPGDHTR6SLC2A1
SCHEMBL25249419 0.77 HTR6 (0.41) HTR2ATTKHPGDHTR6SLC2A1
SCHEMBL2995256 0.75 HTR2A (0.51) HTR2ATTKMEN1HPGDKMT2A
SCHEMBL5344105 0.72 HRH3 (0.47) —

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 HTR2A 235/4885TTK 2899/4885MEN1 233/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 HTR2A 235/4885TTK 2899/4885MEN1 233/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 HTR2A 235/4885TTK 2899/4885MEN1 233/4885

“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.

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