SCHEMBL1793408

SCHEMBL1793408

c1cc2c(cc1OCCN1CCCC1)sc1cc(OCCN3CCCC3)ccc12

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
TSHR P16473 1/20 0.56
RAB9A P51151 1/20 0.56
PSMB1 P20618 1/20 0.54
PSMB5 P28074 1/20 0.54
PSMB2 P49721 1/20 0.54
ESR1 P03372 6/20 0.53
ESR2 Q92731 6/20 0.53
LTA4H P09960 5/20 0.53
HRH3 Q9Y5N1 2/20 0.53
KDM4E B2RXH2 2/20 0.52

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
SCHEMBL1794037 0.98 TSHR (0.58) NPC1TSHRRAB9APSMB1PSMB5
SCHEMBL1795197 0.97 TSHR (0.53) NPC1TSHRRAB9APSMB1PSMB5
SCHEMBL1793048 0.94 NPC1 (0.52) NPC1TSHRRAB9APSMB1PSMB5
SCHEMBL1794752 0.93 TSHR (0.54) NPC1TSHRRAB9APSMB1PSMB5
SCHEMBL1797506 0.92 HRH3 (0.58) HRH3KDM4E
SCHEMBL1796133 0.91 TSHR (0.49) NPC1TSHRRAB9APSMB1PSMB5
SCHEMBL1794121 0.91 HRH3 (0.53) NPC1TSHRRAB9AESR1ESR2
SCHEMBL1794048 0.91 HRH3 (0.60) HRH3KDM4E
SCHEMBL1793980 0.90 HRH3 (0.55) NPC1TSHRRAB9AESR1ESR2
SCHEMBL1792730 0.89 HRH3 (0.54) HRH3KDM4E

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 NPC1 927/4885TSHR 225/4885RAB9A 3118/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 NPC1 1584/4885TSHR 388/4885RAB9A 2877/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 NPC1 1148/4885TSHR 315/4885RAB9A 2329/4885

“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.