SCHEMBL1798153

SCHEMBL1798153

C[N+](C)(C)CCOc1ccc2c(=O)c3ccc(OCC[N+](C)(C)C)cc3oc2c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 1/20 0.61
▸ XDH P47989 7/20 0.55
▸ NPC1 O15118 1/20 0.51
▸ MAOA P21397 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ BCHE P06276 10/20 0.51
▸ ACHE P22303 6/20 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
SCHEMBL1797018 0.94 TERT (0.56) TERTXDHNPC1MAOARAB9A
SCHEMBL1796199 0.94 XDH (0.56) TERTXDHBCHEACHE
SCHEMBL1793457 0.90 TERT (0.59) TERTXDHMAOARAB9AACHE
SCHEMBL1796578 0.89 ACSL1 (0.56) TERTXDHNPC1RAB9ABCHE
SCHEMBL1798475 0.88 NPC1 (0.58) TERTXDHNPC1MAOARAB9A
SCHEMBL1799359 0.84 TERT (0.54) TERTXDHNPC1BCHEACHE
SCHEMBL8961840 0.84 XDH (0.65) XDHBCHEACHE
SCHEMBL1798042 0.84 TERT (0.53) TERTXDHMAOABCHEACHE
SCHEMBL1792781 0.84 KDM4E (0.61) TERTNPC1MAOARAB9ABCHE
SCHEMBL1793335 0.82 ACSL1 (0.57) TERTXDHNPC1MAOARAB9A

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 9 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-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 TERT 3827/4885XDH 49/4885NPC1 927/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 TERT 3922/4885XDH 49/4885NPC1 1584/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 TERT 4040/4885XDH 242/4885NPC1 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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