SCHEMBL1795685

SCHEMBL1795685

O=C(OCc1ccccc1)N1C[C@H]2CN[C@H]2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HTR2C P28335 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP2C19 P33261 1/20 0.50
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
TGM1 P22735 1/20 0.47
GRIN2B Q13224 3/20 0.46
P2RX4 Q99571 1/20 0.45
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 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
SCHEMBL3335937 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL3822619 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL3058628 0.87 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL14964692 0.87 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL30993374 0.85 HTR2C (0.62) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL6094897 0.85 HTR2C (0.62) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL31288321 0.85 HTR2C (0.62) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL13156576 0.84 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTR2CMEN1
Hydrochloric Acid SCHEMBL19742033 0.83 HTR2C (0.60) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL3717717 0.83 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AHTR2CMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796297-B2 4-substituted-2-amino-pyrimidine derivatives ABBVIE INC. (US) 2014-08-05 US disclosed
US-8796297-B2 4-substituted-2-amino-pyrimidine derivatives ABBVIE INC. (US) 2014-08-05 US disclosed
US-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 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
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 US disclosed
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 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
EP-1711463-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2006-10-18 EP disclosed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 US disclosed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 WO disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 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 (4 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 SMN1; SMN2 1026/4885NPC1 927/4885RAB9A 3118/4885
US-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 SMN1; SMN2 2135/4885NPC1 380/4885RAB9A 1279/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 SMN1; SMN2 701/4885NPC1 1584/4885RAB9A 2877/4885
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES HRH2, HRH4, HRH3 SMN1; SMN2 2514/4885NPC1 2553/4885RAB9A 1066/4885

“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.