SCHEMBL1797482

SCHEMBL1797482

CN(C)CCCOc1ccc2c(c1)Cc1ccc(OCCCN(C)C)cc1-2

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.59
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PDK2 Q15119 1/20 0.48
LSS P48449 1/20 0.46
MCHR1 Q99705 1/20 0.45
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1796204 0.95 HRH3 (0.64) HRH3ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL1794930 0.95 HRH3 (0.60) HRH3ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL1794460 0.92 HRH3 (0.50) HRH3ALDH1A1KDM4EKMT2APDK2
SCHEMBL1793325 0.87 HRH3 (0.54) HRH3ALDH1A1KDM4EKMT2APDK2
SCHEMBL1796676 0.87 HRH3 (0.50) HRH3ALDH1A1KDM4EKMT2APDK2
SCHEMBL1796703 0.86 KMT2A (0.61) HRH3ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL1800264 0.85 MAPT (0.57) KDM4ESMN1; SMN2KMT2ANPSR1
SCHEMBL1794365 0.84 MAPT (0.46) HRH3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1797905 0.81 MAPT (0.67) KDM4ESMN1; SMN2KMT2ATSHRNPSR1
SCHEMBL1792831 0.80 KDM4E (0.59) KDM4ESMN1; SMN2KMT2ANPSR1

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 HRH3 161/4885ALDH1A1 1267/4885KDM4E 2818/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 HRH3 321/4885ALDH1A1 1618/4885KDM4E 2402/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 HRH3 199/4885ALDH1A1 1103/4885KDM4E 2270/4885

“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.