SCHEMBL2803588

SCHEMBL2803588

Clc1ccc([C@@H](OC2CCNCC2)c2ccccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.49
SLC6A2 P23975 6/20 0.48
SLC6A3 Q01959 5/20 0.48
CHRM2 P08172 3/20 0.48
ADRA2B P18089 3/20 0.48
HRH1 P35367 3/20 0.48
KCNH2 Q12809 3/20 0.48
HRH3 Q9Y5N1 3/20 0.48
CYP2D6 P10635 3/20 0.48
LMNA P02545 2/20 0.48
CYP2C19 P33261 1/20 0.48
TSHR P16473 2/20 0.42
NFKB1 P19838 2/20 0.42
THPO P40225 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
HRH2 P25021 2/20 0.42
HTR2A P28223 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 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
SCHEMBL1499960 1.00 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3CHRM2ADRA2B
SCHEMBL2805296 1.00 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3CHRM2ADRA2B
Cadaverine Tartrate SCHEMBL20898277 0.91 POLB (0.45) SLC6A4SLC6A2SLC6A3CHRM2ADRA2B
Cadaverine Tartrate SCHEMBL20898278 0.91 POLB (0.45) SLC6A4SLC6A2SLC6A3CHRM2ADRA2B
Cadaverine Tartrate SCHEMBL8638485 0.91 POLB (0.45) SLC6A4SLC6A2SLC6A3CHRM2ADRA2B
Cadaverine Tartrate SCHEMBL20898382 0.91 POLB (0.45) SLC6A4SLC6A2SLC6A3CHRM2ADRA2B
SCHEMBL9533118 0.89 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3CHRM2ADRA2B
SCHEMBL12064971 0.86 SLC6A2 (0.48) SLC6A4SLC6A2SLC6A3HRH1KCNH2
SCHEMBL20898695 0.86 POLB (0.43) SLC6A4SLC6A2SLC6A3CHRM2ADRA2B
SCHEMBL15467772 0.86 POLB (0.43) SLC6A4SLC6A2SLC6A3CHRM2ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111116556-B Preparation method of (R) -2- [ (4-chlorphenyl) (4-piperidinyloxy) methyl ] pyridine 北京鑫开元医药科技有限公司 2021-11-02 CN claimed
CN-111116556-A Preparation method of (R) -2- [ (4-chlorphenyl) (4-piperidinyloxy) methyl ] pyridine 北京鑫开元医药科技有限公司 2020-05-08 CN claimed
CN-113072486-B Amino alcohol-boron-binaphthol complex and preparation method of optically active amino alcohol derivative using same 分子与物质株式会社 2024-10-11 CN disclosed
CN-117164419-A Chiral synthesis method of bestatin intermediate 江苏联环药业股份有限公司 2023-12-05 CN disclosed
CN-111116556-B Preparation method of (R) -2- [ (4-chlorphenyl) (4-piperidinyloxy) methyl ] pyridine 北京鑫开元医药科技有限公司 2021-11-02 CN disclosed
CN-111116556-B Preparation method of (R) -2- [ (4-chlorphenyl) (4-piperidinyloxy) methyl ] pyridine 北京鑫开元医药科技有限公司 2021-11-02 CN disclosed
CN-111116556-B Preparation method of (R) -2- [ (4-chlorphenyl) (4-piperidinyloxy) methyl ] pyridine 北京鑫开元医药科技有限公司 2021-11-02 CN disclosed
CN-111116556-A Preparation method of (R) -2- [ (4-chlorphenyl) (4-piperidinyloxy) methyl ] pyridine 北京鑫开元医药科技有限公司 2020-05-08 CN disclosed
CN-111116556-A Preparation method of (R) -2- [ (4-chlorphenyl) (4-piperidinyloxy) methyl ] pyridine 北京鑫开元医药科技有限公司 2020-05-08 CN disclosed
CN-111116556-A Preparation method of (R) -2- [ (4-chlorphenyl) (4-piperidinyloxy) methyl ] pyridine 北京鑫开元医药科技有限公司 2020-05-08 CN disclosed
US-20100168433-A1 PROCESS FOR PREPARING BEPOTASTINE AND INTERMEDIATES USED THEREIN HANMI PHARM. CO., LTD. (KR) 2010-07-01 US disclosed
EP-2167488-A2 PROCESS FOR PREPARING BEPOTASTINE AND INTERMEDIATES USED THEREIN Hanmi Pharm. Co., Ltd. (KR) 2010-03-31 EP disclosed
WO-2008153289-A2 PROCESS FOR PREPARING BEPOTASTINE AND INTERMEDIATES USED THEREIN HANMI PHARM. CO., LTD. (KR) 2008-12-18 WO disclosed
US-7282589-B2 Acid addition salt of optically active piperidine compound and process for preparing the same UBE INDUSTRIES, LTD. (JP) 2007-10-16 US disclosed
US-20040220226-A1 Acid addition salt of optically active piperidine compound and process for preparing the same UBE INDUSTRIES, LTD. 2004-11-04 US disclosed
US-6780877-B2 ANTIHISTAMINIC ACTIVITY, ANTI-ALLERGIC ACTIVITY UBE INDUSTRIES, LTD. (JP) 2004-08-24 US disclosed
EP-0949260-B1 ACID-ADDITION SALTS OF OPTICALLY ACTIVE PIPERIDINE COMPOUND AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES (JP) 2002-05-22 EP disclosed
US-20020026054-A1 Acid addition salt of optically active piperidine compound and process for preparing the same UBE INDUSTRIES, LTD. 2002-02-28 US disclosed
US-6307052-B1 Acid-addition salts of optically active piperidine compound and process for producing the same UBE INDUSTRIES, LTD. (JP) 2001-10-23 US disclosed
EP-0949260-A1 ACID-ADDITION SALTS OF OPTICALLY ACTIVE PIPERIDINE COMPOUND AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 1999-10-13 EP 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-20100168433-A1 PROCESS FOR PREPARING BEPOTASTINE AND INTERMEDIATES USED THEREIN HRH4, HRH2, HRH1 SLC6A4 2765/4885SLC6A2 3741/4885SLC6A3 3930/4885
US-20020026054-A1 Acid addition salt of optically active piperidine compound and process for preparing the same CMA1, HRH1, HRH2 SLC6A4 2028/4885SLC6A2 3209/4885SLC6A3 3661/4885
US-20040220226-A1 Acid addition salt of optically active piperidine compound and process for preparing the same DCTPP1, SSRP1, ITPA SLC6A4 170/4885SLC6A2 828/4885SLC6A3 629/4885

“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.