SCHEMBL1792781

SCHEMBL1792781

C[N+](C)(C)CCOc1ccc2c(c1)oc(=O)c1cc(OCC[N+](C)(C)C)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.61
▸ ALDH1A1 P00352 7/20 0.61
▸ MAPT P10636 5/20 0.61
▸ POLB P06746 4/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ STAT1 P42224 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ TERT O14746 1/20 0.57
▸ MAOB P27338 2/20 0.52
▸ ACHE P22303 5/20 0.52
▸ BCHE P06276 4/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ LMNA P02545 1/20 0.51
▸ AKR1C3 P42330 1/20 0.51
▸ AKR1C2 P52895 1/20 0.51
▸ AKR1C1 Q04828 1/20 0.51
▸ HPGD P15428 5/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ TDP1 Q9NUW8 3/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL1794635 0.94 KDM4E (0.58) KDM4EALDH1A1MAPTPOLBNPC1
SCHEMBL1793457 0.86 TERT (0.59) KDM4EALDH1A1MAPTRAB9ATERT
SCHEMBL1798153 0.84 TERT (0.61) NPC1RAB9ATERTACHEBCHE
SCHEMBL1799359 0.84 TERT (0.54) KDM4EALDH1A1MAPTNPC1TERT
SCHEMBL11564493 0.82 KDM4E (0.60) KDM4EALDH1A1MAPTPOLBNPC1
SCHEMBL1792395 0.82 KDM4E (0.60) KDM4EALDH1A1MAPTPOLBNPC1
SCHEMBL1797018 0.82 TERT (0.56) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL1799905 0.82 KDM4E (0.60) KDM4EALDH1A1MAPTPOLBNPC1
SCHEMBL1794305 0.82 BCHE (0.63) KDM4EALDH1A1MAPTPOLBNPC1
SCHEMBL7758792 0.82 KDM4E (0.60) KDM4EALDH1A1MAPTPOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258682-A2 Amino-substituted tricyclic derivatives and methods of use Abbott Laboratories (US) 2010-12-08 — — EP claimed
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-07-03 — — US claimed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 — — US claimed
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use SCHRIMPF MICHAEL R (US) 2005-08-04 — — US claimed
US-7951791-B2 e.g. 2,7-bis-[(3R)-1-azabicyclo[2.2.2]octan-3-yloxy]-fluoren-9-one; alpha 7 Nicotinic acetylcholine receptors ligands; cognitive disorder, neurodegeneration, and neurodevelopmental disorders ABBOTT LABORATORIES (US) 2011-05-31 — — US disclosed
EP-2258682-A2 Amino-substituted tricyclic derivatives and methods of use Abbott Laboratories (US) 2010-12-08 — — EP disclosed
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-07-03 — — US disclosed
US-7365193-B2 Amino-substituted tricyclic derivatives and methods of use ABBOTT LABORATORIES (US) 2008-04-29 — — US disclosed
EP-1711463-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2006-10-18 — — EP disclosed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 — — US disclosed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 — — WO disclosed
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use SCHRIMPF MICHAEL R (US) 2005-08-04 — — US 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-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use CHRNA1, CHRM1, GALR1 KDM4E 2818/4885ALDH1A1 1267/4885MAPT 3330/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 KDM4E 2402/4885ALDH1A1 1618/4885MAPT 3318/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 KDM4E 2270/4885ALDH1A1 1103/4885MAPT 2875/4885

“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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