SCHEMBL4452291

SCHEMBL4452291

O=C(O)c1ncccc1CCc1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.62
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
KDM4C Q9H3R0 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
NR4A2 P43354 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HIF1A Q16665 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
Hydrochloric Acid SCHEMBL4603331 0.99 BACE1 (0.60) BACE1KDM4EMAPTCYP1A2KDM4C
SCHEMBL13962883 0.89 BACE1 (0.62) BACE1KDM4CKMT2AMEN1SMN1; SMN2
SCHEMBL13962869 0.88 BACE1 (0.60) BACE1KDM4EMAPTKMT2AMEN1
SCHEMBL4558113 0.88 BACE1 (0.64) BACE1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL14012061 0.84 BACE1 (0.56) BACE1KDM4EMAPTKMT2AMEN1
SCHEMBL7656556 0.84 GRM4 (0.55) BACE1KDM4EMAPTKMT2AMEN1
SCHEMBL10749832 0.84 KDM4E (0.62) KDM4EMAPTCYP1A2SMN1; SMN2NPC1
SCHEMBL9829635 0.83 KDM4E (0.51) BACE1KDM4EMAPTCYP1A2KDM4C
SCHEMBL13962897 0.83 KDM4E (0.51) BACE1KDM4EMAPTCYP1A2KMT2A
SCHEMBL4606123 0.81 BACE1 (0.53) BACE1KDM4EMAPTKMT2AMEN1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105566214-B Preparation process of 3- [2- (3-chlorphenyl) ethyl ] -2-picolinic acid 上海医药工业研究院 2020-05-15 CN claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
CN-105566214-B Preparation process of 3- [2- (3-chlorphenyl) ethyl ] -2-picolinic acid 上海医药工业研究院 2020-05-15 CN disclosed
CN-105566214-B Preparation process of 3- [2- (3-chlorphenyl) ethyl ] -2-picolinic acid 上海医药工业研究院 2020-05-15 CN disclosed
CN-105566214-B Preparation process of 3- [2- (3-chlorphenyl) ethyl ] -2-picolinic acid 上海医药工业研究院 2020-05-15 CN disclosed
CN-105566214-A Preparation process of 3-[2-(3-chlorphenyl)ethyl]-2-pyridinecarboxylic acid SHANGHAI INST PHARMACEUTICAL IND 2016-05-11 CN disclosed
CN-105566214-A Preparation process of 3-[2-(3-chlorphenyl)ethyl]-2-pyridinecarboxylic acid SHANGHAI INST PHARMACEUTICAL IND 2016-05-11 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-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-20030144314-A1 PROCESS OF SYNTHESIS OF A TRICYCLIC KETONE INTERMEDIATE SCHERING CORPORATION 2003-07-31 US 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
WO-2003016281-A1 A PROCESS OF SYNTHESIS OF A TRICYCLIC KETONE INTERMEDIATE SCHERING CORPORATION (US) 2003-02-27 WO disclosed
EP-1098882-A1 A PROCESS FOR PREPARING BENZOCYCLOHEPTAPYRIDIN-11-ONES RUSSINSKY LIMITED (IE) 2001-05-16 EP disclosed
WO-2000005215-A1 A PROCESS FOR PREPARING BENZOCYCLOHEPTAPYRIDIN-11-ONES RUSSINSKY LIMITED (IE) 2000-02-03 WO disclosed
US-4873335-A 3-phenethyl-2-benzene-amides or aza-derivatives thereof SCHERING CORPORATION (US) 1989-10-10 US disclosed
US-4731447-A Process for preparing piperidylidene dihydro-dibenzo(a,d)-cycloheptenes or aza-derivatives thereof SCHERING CORPORATION (US) 1988-03-15 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-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 3426/4885KDM4E 230/4885MAPT 3169/4885
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 3974/4885KDM4E 230/4885MAPT 3263/4885
US-20030144314-A1 PROCESS OF SYNTHESIS OF A TRICYCLIC KETONE INTERMEDIATE CYP4F11, CYP2F1, KYAT1 BACE1 1504/4885KDM4E 872/4885MAPT 4003/4885

“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.