SCHEMBL1798229

SCHEMBL1798229

NCCCOc1ccc2oc3ccc(OCCCN)cc3c(=O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSL1 P33121 2/20 0.58
▸ ACSL6 Q9UKU0 2/20 0.58
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ SENP8 Q96LD8 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56
▸ SIGMAR1 Q99720 1/20 0.55
▸ MAOB P27338 13/20 0.52
▸ HRH3 Q9Y5N1 13/20 0.52
▸ BCHE P06276 2/20 0.52
▸ ACHE P22303 2/20 0.52
▸ MAOA P21397 1/20 0.49
▸ POLB P06746 1/20 0.48

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
SCHEMBL12240985 0.94 KDM4E (0.54) ACSL1ACSL6NPC1RAB9AKDM4E
SCHEMBL1798063 0.92 NPC1 (0.57) ACSL1ACSL6NPC1RAB9AKDM4E
SCHEMBL1795987 0.90 SIGMAR1 (0.53) ACSL1ACSL6NPC1RAB9AKDM4E
SCHEMBL1795724 0.87 XDH (0.56) BCHEACHE
SCHEMBL15759330 0.86 ACSL1 (0.54) ACSL1ACSL6NPC1RAB9AKDM4E
SCHEMBL2550117 0.85 ACSL1 (0.67) ACSL1ACSL6NPC1RAB9AKDM4E
SCHEMBL12240936 0.85 KDM4E (0.54) ACSL1ACSL6NPC1RAB9AKDM4E
SCHEMBL11832626 0.85 SIGMAR1 (0.59) ACSL1ACSL6SIGMAR1MAOBHRH3
SCHEMBL1794765 0.84 SIGMAR1 (0.52) ACSL1ACSL6NPC1MAPTSIGMAR1
SCHEMBL1798871 0.81 SIGMAR1 (0.48) ACSL1ACSL6NPC1RAB9AKDM4E

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 ACSL1 3873/4885ACSL6 4006/4885NPC1 927/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 ACSL1 3594/4885ACSL6 3814/4885NPC1 1584/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 ACSL1 3492/4885ACSL6 3637/4885NPC1 1148/4885

“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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