SCHEMBL6948731

SCHEMBL6948731

O=C(Nc1ccc(Cl)cc1)c1ncccc1CCc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.53
CNR1 P21554 3/20 0.53
GRM4 Q14833 2/20 0.52
GAA P10253 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDR P35968 3/20 0.46
HDAC6 Q9UBN7 1/20 0.45
NPC1 O15118 2/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADORA2A P29274 1/20 0.43
SGMS2 Q8NHU3 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 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
SCHEMBL7656556 0.93 GRM4 (0.55) BACE1CNR1GRM4GAAKDM4E
SCHEMBL14012061 0.84 BACE1 (0.56) BACE1GRM4GAAKDM4EMEN1
SCHEMBL4606123 0.81 BACE1 (0.53) BACE1GRM4GAAKDM4EMEN1
SCHEMBL4452291 0.81 BACE1 (0.62) BACE1GRM4GAAKDM4EMEN1
SCHEMBL13962883 0.81 BACE1 (0.62) BACE1GRM4GAAMEN1KMT2A
SCHEMBL13962869 0.80 BACE1 (0.60) BACE1GRM4GAAKDM4EMEN1
Hydrochloric Acid SCHEMBL4603331 0.80 BACE1 (0.60) BACE1GRM4GAAKDM4EMEN1
SCHEMBL4558113 0.80 BACE1 (0.64) BACE1GRM4GAAKDM4EMEN1
SCHEMBL9469239 0.80 NPC1 (0.52) GRM4KDM4EMEN1KMT2AKDR
SCHEMBL14284354 0.73 TLR7 (0.67) GRM4KDM4EKDRNPC1TSHR

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 15 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-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-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
CN-1257166-C Process for preparing tricyclic compound having antihistaminic activity SCHERING CORP (US) 2006-05-24 CN disclosed
EP-1140899-B1 PROCESS FOR PREPARING TRICYCLIC COMPOUNDS HAVING ANTIHISTAMINIC ACTIVITY SCHERING CORP (US) 2003-09-10 EP disclosed
US-6495689-B2 DEHYDRATING COMPOUND COMPRISING 2-AMIDO ARYL OR HETEROARYL-3-ETHYLPHENYL-PYRIDINE COMPOUND TO FORM IMINE DERIVATIVE; HYDROLYSIS TO FORM (SUBSTITUTED) 5,6-DIHYDRO-11HBENZO(5,6)CYCLOHEPTA(1,2B)PYRID-11-ONE COMPOUND SCHERING CORPORATION 2002-12-17 US disclosed
US-20020077331-A1 Synthesis of intermediates useful in preparing tricyclic compounds MERCK SHARP & DOHME CORP. 2002-06-20 US disclosed
US-6372909-B1 REACTING 3-PHENYLETHYL-2-PYRIDINECARBOXAMIDE WITH DEHYDRATING AGENT TO CYCLIZE AND FORM TRICYCLIC IMINE, HYDROLYZING TO FORM TRICYCLIC KETONE SCHERING CORPORATION 2002-04-16 US disclosed
CN-1334810-A Process for preparing tricyclic compound having antihistaminic activity SCHERING CORP (US) 2002-02-06 CN disclosed
EP-1140899-A1 PROCESS FOR PREPARING TRICYCLIC COMPOUNDS HAVING ANTIHISTAMINIC ACTIVITY SCHERING CORPORATION (US) 2001-10-10 EP disclosed
EP-1131296-A2 SYNTHESIS OF INTERMEDIATES USEFUL IN PREPARING TRICYCLIC COMPOUNDS SCHERING CORPORATION (US) 2001-09-12 EP disclosed
US-6271378-B1 Process for preparing tricyclic compounds having antihistaminic activity SCHERING CORPORATION 2001-08-07 US disclosed
WO-2000037457-A1 PROCESS FOR PREPARING TRICYCLIC COMPOUNDS HAVING ANTIHISTAMINIC ACTIVITY SCHERING CORPORATION (US) 2000-06-29 WO disclosed
WO-2000030589-A2 SYNTHESIS OF INTERMEDIATES USEFUL IN PREPARING TRICYCLIC COMPOUNDS SCHERING CORPORATION (US) 2000-06-02 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 BACE1 3426/4885CNR1 129/4885GRM4 26/4885
US-20020077331-A1 Synthesis of intermediates useful in preparing tricyclic compounds CBR1, CYP2F1, REV1 BACE1 2672/4885CNR1 140/4885GRM4 2273/4885

“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.