SCHEMBL4457894

SCHEMBL4457894

CN1CCC(C2(O)c3ccc(Cl)cc3CCc3cccnc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
FNTA P49354 10/20 0.45
FNTB P49356 10/20 0.45
HRH1 P35367 2/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A15 Q9H2J7 1/20 0.38

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
SCHEMBL32668926 1.00 MAPK1 (0.53) MAPK1SMN1; SMN2FNTAFNTBHRH1
SCHEMBL9832235 0.87 MAPK1 (0.53) MAPK1SMN1; SMN2FNTAFNTBDRD2
SCHEMBL8709456 0.86 MAPK1 (0.72) MAPK1SMN1; SMN2HRH1DRD2L3MBTL1
SCHEMBL5475539 0.85 HRH1 (0.54) MAPK1SMN1; SMN2FNTAFNTBHRH1
SCHEMBL8878464 0.85 FNTA (0.43) MAPK1SMN1; SMN2FNTAFNTBHRH1
SCHEMBL9592908 0.85 SMN1; SMN2 (0.51) MAPK1SMN1; SMN2FNTAFNTBHRH1
SCHEMBL8786099 0.84 FNTA (0.42) MAPK1SMN1; SMN2FNTAFNTBHRH1
SCHEMBL9590406 0.84 MAPK1 (0.50) MAPK1SMN1; SMN2DRD2L3MBTL1
SCHEMBL8877017 0.83 MAPK1 (0.41) MAPK1SMN1; SMN2FNTAFNTBHRH1
SCHEMBL9591624 0.83 SMN1; SMN2 (0.49) MAPK1SMN1; SMN2FNTAFNTBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005567-A1 PROCESS FOR THE PREPARATION OF 4-(8-CHLORO-5,6-DIHYDRO-11H-BENZO (5,6)-CYCLOHEPTA-(1,2B) -PYRIDIN-11-YLIDENE)-1-PIPERIDINECARBOXYLIC ACID ETHYL ESTER (LORATADINE) ZACH SYSTEM S.P.A. (IT) 2009-01-01 US disclosed
US-7449583-B2 Process for the preparation of 4-(8-chloro-5 6-dihydro-11h-benzo-(5 6)-cyclohepta-(1 2b)-pyridin-11-ylidene-1-piperidiniecarboxylic acid ethyl ester (loratadine) ZACH SYSTEM S.P.A. (IT) 2008-11-11 US disclosed
US-20070224266-A1 Descarbonylethoxyloratadine containing pharmaceutical composition PHARMASCIENCE INC. 2007-09-27 US disclosed
EP-1442035-B1 PROCESS FOR THE PREPARATION OF 4- (8-CHLORO-5, 6-DIHYDRO-11H-BENZO-[5,6]-CYCLOHEPTA-[1,2-B]-PYRIDIN-11-YLIDENE)-1-PIPERIDINECARBOXYLIC ACID ETHYL ESTER (LORATADINE) ZAMBON SPA (IT) 2006-01-11 EP disclosed
US-20050171352-A1 Process for the preparation of 4-(8-chloro-5 6-dihydro-11h-benzo-(5 6)-cyclohepta-(1 2b)-pyridin-11-ylidene-1-piperidiniecarboxylic acid ethyl ester (loratadine) ZAMBON GROUP S.P.A (IT) 2005-08-04 US disclosed
WO-2004080997-A1 PROCESS FOR THE PREPARATION OF LORATADINE MOREPEN LABORATORIES LIMITED (IN) 2004-09-23 WO 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 (2 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-20090005567-A1 PROCESS FOR THE PREPARATION OF 4-(8-CHLORO-5,6-DIHYDRO-11H-BENZO (5,6)-CYCLOHEPTA-(1,2B) -PYRIDIN-11-YLIDENE)-1-PIPERIDINECARBOXYLIC ACID ETHYL ESTER (LORATADINE) HRH4, HRH2, GRIN3A MAPK1 3094/4885SMN1; SMN2 2562/4885FNTA 3989/4885
US-20050171352-A1 Process for the preparation of 4-(8-chloro-5 6-dihydro-11h-benzo-(5 6)-cyclohepta-(1 2b)-pyridin-11-ylidene-1-piperidiniecarboxylic acid ethyl ester (loratadine) HRH4, HRH2, HRH1 MAPK1 2708/4885SMN1; SMN2 3528/4885FNTA 4146/4885

“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.