SCHEMBL1796831

SCHEMBL1796831

CN(C)CCCOc1ccc2c(c1)oc(=O)c1cc(OCCCN(C)C)ccc12

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 8/20 0.64
▸ BCHE P06276 6/20 0.64
▸ KDM4E B2RXH2 1/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ STAT1 P42224 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ SIGMAR1 Q99720 9/20 0.57
▸ MAOB P27338 2/20 0.54
▸ MAOA P21397 1/20 0.51
▸ MTHFD1 P11586 1/20 0.51
▸ MTHFD2 P13995 1/20 0.51

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
SCHEMBL30566350 0.95 MAPT (0.68) ACHEBCHEKDM4ENPC1ALDH1A1
SCHEMBL29069246 0.95 MAPT (0.68) ACHEBCHEKDM4ENPC1ALDH1A1
SCHEMBL1794305 0.93 BCHE (0.63) ACHEBCHEKDM4ENPC1ALDH1A1
Hydrochloric Acid SCHEMBL11561758 0.92 ACHE (0.62) ACHEBCHEKDM4ENPC1ALDH1A1
SCHEMBL30566345 0.91 MAPT (0.67) ACHEBCHEKDM4ENPC1ALDH1A1
SCHEMBL29069228 0.91 MAPT (0.67) ACHEBCHEKDM4ENPC1ALDH1A1
SCHEMBL29069233 0.90 MAPT (0.65) ACHEBCHEKDM4ENPC1ALDH1A1
SCHEMBL30566359 0.90 MAPT (0.65) ACHEBCHEKDM4ENPC1ALDH1A1
SCHEMBL27319149 0.88 MAPT (0.70) ACHEBCHEKDM4ENPC1ALDH1A1
SCHEMBL1795639 0.87 SIGMAR1 (0.55) ACHEBCHEKDM4EALDH1A1SIGMAR1

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 ACHE 89/4885BCHE 282/4885KDM4E 2818/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 ACHE 43/4885BCHE 175/4885KDM4E 2402/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 ACHE 50/4885BCHE 197/4885KDM4E 2270/4885

“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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