SCHEMBL1795199

SCHEMBL1795199

CN1C(=O)C2CN(Cc3ccccc3)CC2C1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.50
TAAR1 Q96RJ0 1/20 0.49
RORC P51449 1/20 0.49
MC4R P32245 1/20 0.49
S1PR1 P21453 1/20 0.47
S1PR5 Q9H228 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
ACHE P22303 2/20 0.46
EED O75530 1/20 0.45

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
SCHEMBL584067 0.84 ALDH1A1 (0.67) FUCA1RORCS1PR1S1PR5ALDH1A1
SCHEMBL6096881 0.84 ALDH1A1 (0.67) FUCA1RORCS1PR1S1PR5ALDH1A1
SCHEMBL9042636 0.81 SMN1; SMN2 (0.52) FUCA1RORCS1PR1S1PR5ALDH1A1
SCHEMBL1749014 0.81 SMN1; SMN2 (0.52) FUCA1RORCS1PR1S1PR5ALDH1A1
SCHEMBL1749003 0.81 S1PR5 (0.50) FUCA1RORCS1PR1S1PR5ALDH1A1
SCHEMBL24535980 0.81 FUCA1 (0.51) FUCA1RORCS1PR1S1PR5ALDH1A1
SCHEMBL11031885 0.81 FUCA1 (0.51) FUCA1RORCS1PR1S1PR5ALDH1A1
SCHEMBL1505186 0.81 FUCA1 (0.51) FUCA1RORCS1PR1S1PR5ALDH1A1
SCHEMBL583636 0.81 FUCA1 (0.51) FUCA1RORCS1PR1S1PR5ALDH1A1
Hydrochloric Acid SCHEMBL1749238 0.80 SMN1; SMN2 (0.51) FUCA1RORCS1PR1S1PR5ALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586609-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-11-19 US disclosed
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-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-11-25 US disclosed
US-7838547-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-11-23 US 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-20070299077-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-27 US disclosed
EP-1781663-A2 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Sanofi-Aventis Deutschland GmbH (DE) 2007-05-09 EP disclosed
WO-2006018280-A2 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-02-23 WO disclosed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 US disclosed
US-20050065178-A1 Substituted diazabicycloakane derivatives ABBOTT LABORATORIES 2005-03-24 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 (5 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 FUCA1 1173/4885TAAR1 75/4885RORC 790/4885
US-20070299077-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT FUCA1 3045/4885TAAR1 90/4885RORC 809/4885
US-20050065178-A1 Substituted diazabicycloakane derivatives CHRNA7, CHRNA1, CHRNA5 FUCA1 1920/4885TAAR1 278/4885RORC 333/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 FUCA1 2081/4885TAAR1 77/4885RORC 968/4885
US-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT FUCA1 3045/4885TAAR1 90/4885RORC 809/4885

“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.