SCHEMBL1799773

SCHEMBL1799773

NCCCOc1ccc2c(c1)oc(=O)c1cc(OCCCN)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.59
▸ KDM4E B2RXH2 5/20 0.59
▸ ALDH1A1 P00352 5/20 0.59
▸ POLB P06746 2/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ STAT1 P42224 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ MAOB P27338 2/20 0.53
▸ AKR1C3 P42330 1/20 0.52
▸ AKR1C2 P52895 1/20 0.52
▸ AKR1C1 Q04828 1/20 0.52
▸ ACHE P22303 9/20 0.52
▸ BCHE P06276 7/20 0.52
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ MAOA P21397 1/20 0.49
▸ CA4 P22748 1/20 0.49
▸ CA5A P35218 1/20 0.49
▸ CA7 P43166 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
SCHEMBL1792395 0.93 KDM4E (0.60) MAPTKDM4EALDH1A1POLBNPC1
SCHEMBL1796848 0.86 SIGMAR1 (0.47) MAOBMAOASIGMAR1
SCHEMBL11564493 0.84 KDM4E (0.60) MAPTKDM4EALDH1A1POLBNPC1
SCHEMBL1795724 0.83 XDH (0.56) ACHEBCHE
SCHEMBL1794765 0.83 SIGMAR1 (0.52) MAPTNPC1MAOBACHEBCHE
SCHEMBL7758792 0.83 KDM4E (0.60) MAPTKDM4EALDH1A1POLBNPC1
SCHEMBL1796831 0.82 ACHE (0.64) MAPTKDM4EALDH1A1POLBNPC1
SCHEMBL29894593 0.82 KDM4E (0.76) MAPTKDM4EALDH1A1POLBNPC1
SCHEMBL28627763 0.82 KDM4E (0.76) MAPTKDM4EALDH1A1POLBNPC1
SCHEMBL1794310 0.82 KDM4E (0.58) MAPTKDM4EALDH1A1POLBNPC1

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
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
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 — — US 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 MAPT 3330/4885KDM4E 2818/4885ALDH1A1 1267/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 MAPT 3318/4885KDM4E 2402/4885ALDH1A1 1618/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 MAPT 2875/4885KDM4E 2270/4885ALDH1A1 1103/4885

“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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