SCHEMBL4558113

SCHEMBL4558113

NC(=O)c1ncccc1CCc1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.64
RPS6KB1 P23443 1/20 0.47
HTR3E A5X5Y0 3/20 0.46
HTR3B O95264 3/20 0.46
HTR3A P46098 3/20 0.46
HTR3D Q70Z44 3/20 0.46
HTR3C Q8WXA8 3/20 0.46
TAAR1 Q96RJ0 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
GRM4 Q14833 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40

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
SCHEMBL4452291 0.88 BACE1 (0.62) BACE1TAAR1KMT2AMEN1SMN1; SMN2
SCHEMBL13962883 0.88 BACE1 (0.62) BACE1RPS6KB1HTR3EHTR3BHTR3A
SCHEMBL13962869 0.86 BACE1 (0.60) BACE1TAAR1KMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL4603331 0.86 BACE1 (0.60) BACE1TAAR1KMT2AMEN1SMN1; SMN2
SCHEMBL9830326 0.84 NR3C2 (0.54) BACE1RPS6KB1TAAR1KDM4EPARP1
SCHEMBL14012061 0.83 BACE1 (0.56) BACE1TAAR1KMT2AMEN1SMN1; SMN2
SCHEMBL11182436 0.83 KDM4E (0.47) RPS6KB1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL4606123 0.80 BACE1 (0.53) BACE1TAAR1KMT2AMEN1SMN1; SMN2
SCHEMBL6948731 0.80 BACE1 (0.53) BACE1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL7656556 0.80 GRM4 (0.55) BACE1KMT2AMEN1NPC1GAA

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
CN-107556237-B Preparation method of 3- (2-phenethyl) -2-pyridine carboxamide compound 四川大学 2020-11-24 CN 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-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
EP-1442035-A1 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 GROUP S.p.A. (IT) 2004-08-04 EP disclosed
WO-2003040140-A1 PROCESS FOR THE PREPARATION OF 4-(8-CHLORO-5,6-DIHYDRO-11H-BENZO(5,6)-CYCLOHEPTA-(1,2B)-PYRIDIN-11-YLIDENE)-1-PIPERIDINECARBOXYLI C ACID ETHYL ESTER (LORATADINE) ZAMBON GROUP S.P.A. (IT) 2003-05-15 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 3426/4885RPS6KB1 2759/4885HTR3E 145/4885
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 BACE1 3974/4885RPS6KB1 2010/4885HTR3E 226/4885

“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.