SCHEMBL1795409

SCHEMBL1795409

CN(C)CCCOc1ccc2c(c1)[nH]c(=O)c1cc(OCCCN(C)C)ccc12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.61
MAOA P21397 2/20 0.59
SIGMAR1 Q99720 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HRH3 Q9Y5N1 3/20 0.45
TNKS O95271 2/20 0.44
NUAK1 O60285 1/20 0.43
TOP2A P11388 1/20 0.43
AAK1 Q2M2I8 1/20 0.42

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
Hydrochloric Acid SCHEMBL11625804 0.99 PARP1 (0.60) PARP1MAOASIGMAR1PDGFRBPDGFRA
SCHEMBL1796698 0.93 PARP1 (0.61) PARP1MAOASIGMAR1PDGFRBPDGFRA
SCHEMBL1797829 0.87 MAOA (0.69) PARP1MAOAPDGFRBPDGFRAKDM4E
SCHEMBL1794653 0.87 SIGMAR1 (0.53) PARP1MAOASIGMAR1KDM4E
SCHEMBL1794673 0.86 PARP1 (0.47) PARP1MAOASIGMAR1
SCHEMBL1793123 0.85 MAOA (0.60) PARP1MAOASIGMAR1PDGFRBPDGFRA
SCHEMBL1796782 0.85 MAOA (0.63) PARP1MAOAPDGFRBPDGFRAKDM4E
SCHEMBL1796707 0.83 PARP1 (0.56) PARP1SIGMAR1
SCHEMBL1797457 0.83 MAOA (0.55) PARP1MAOASIGMAR1PDGFRBPDGFRA
SCHEMBL1794230 0.82 PARP1 (0.47) PARP1MAOAAAK1

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 11 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
US-3932643-A INTERFERON INDUCERS PFIZER INC. (US) 1976-01-13 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 PARP1 1668/4885MAOA 212/4885SIGMAR1 81/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 PARP1 2033/4885MAOA 132/4885SIGMAR1 103/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 PARP1 2735/4885MAOA 176/4885SIGMAR1 135/4885

“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.