SCHEMBL1793286

SCHEMBL1793286

c1cc2sc3ccc(OCCN4CCCCC4)cc3c2cc1OCCN1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 5/20 0.56
PSMB5 P28074 5/20 0.56
PSMB2 P49721 4/20 0.56
SIGMAR1 Q99720 3/20 0.55
NPC1 O15118 1/20 0.55
TSHR P16473 1/20 0.55
RAB9A P51151 1/20 0.55
HRH3 Q9Y5N1 6/20 0.55
BACE1 P56817 1/20 0.54
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53

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
SCHEMBL1795171 0.98 SIGMAR1 (0.54) PSMB1PSMB5PSMB2SIGMAR1NPC1
SCHEMBL1794954 0.95 SIGMAR1 (0.51) PSMB1PSMB5PSMB2SIGMAR1NPC1
SCHEMBL1794752 0.94 TSHR (0.54) PSMB1PSMB5PSMB2SIGMAR1NPC1
SCHEMBL1793048 0.93 NPC1 (0.52) PSMB1PSMB5PSMB2SIGMAR1NPC1
SCHEMBL1794719 0.93 HRH3 (0.60) SIGMAR1HRH3
SCHEMBL1793512 0.92 SIGMAR1 (0.57) PSMB1PSMB5PSMB2SIGMAR1HRH3
Hydrochloric Acid SCHEMBL11747033 0.91 HRH3 (0.59) SIGMAR1HRH3
SCHEMBL1795536 0.91 HRH3 (0.58) SIGMAR1HRH3
SCHEMBL1796133 0.90 TSHR (0.49) PSMB1PSMB5PSMB2SIGMAR1NPC1
SCHEMBL1794627 0.90 SIGMAR1 (0.56) SIGMAR1HRH3ESR1ESR2

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 PSMB1 1993/4885PSMB5 1484/4885PSMB2 2030/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 PSMB1 1518/4885PSMB5 1049/4885PSMB2 1593/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 PSMB1 1677/4885PSMB5 986/4885PSMB2 1618/4885

“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.