SCHEMBL1799314

SCHEMBL1799314

CNCCOc1ccc2oc3ccc(OCCNC)cc3c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
HTR1B P28222 2/20 0.50
HTR1D P28221 1/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 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
SCHEMBL1797275 0.95 LMNA (0.57) LMNAHTR1BHTR1DALDH1A1KDM4E
SCHEMBL1795715 0.94 LMNA (0.56) LMNAHTR1BHTR1DALDH1A1KDM4E
SCHEMBL1794580 0.91 KDM4E (0.57) LMNAALDH1A1KDM4EMAPTHPGD
SCHEMBL1794168 0.89 LMNA (0.55) LMNAHTR1BALDH1A1KDM4EMEN1
SCHEMBL1793983 0.86 HTR1B (0.50) LMNAHTR1BHTR1DALDH1A1KDM4E
SCHEMBL1794020 0.86 KDM4E (0.55) LMNAALDH1A1KDM4EMAPTHPGD
SCHEMBL1796129 0.85 XDH (0.53) LMNAALDH1A1KDM4EMAPTHPGD
SCHEMBL1796785 0.83 LMNA (0.56) LMNAHTR1BALDH1A1KDM4EMEN1
SCHEMBL1794512 0.82 LMNA (0.54) LMNAHTR1BALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL11834279 0.82 LMNA (0.54) LMNAHTR1BALDH1A1KDM4EMEN1

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 LMNA 322/4885HTR1B 34/4885HTR1D 76/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 LMNA 208/4885HTR1B 42/4885HTR1D 80/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 LMNA 712/4885HTR1B 39/4885HTR1D 92/4885

“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.