SCHEMBL546735

SCHEMBL546735

c1ccc(Oc2ccccc2N2CCNCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 1.00
SLC6A2 P23975 6/20 1.00
SLC6A4 P31645 6/20 1.00
SLC6A3 Q01959 5/20 1.00
HTR3A P46098 3/20 0.65
ADRB1 P08588 3/20 0.65
HTR6 P50406 2/20 0.65
HTR3E A5X5Y0 1/20 0.65
HTR3B O95264 1/20 0.65
DRD2 P14416 1/20 0.65
CYP2C19 P33261 1/20 0.65
DRD3 P35462 1/20 0.65
HTR3D Q70Z44 1/20 0.65
HTR3C Q8WXA8 1/20 0.65
SIGMAR1 Q99720 1/20 0.65
LMNA P02545 1/20 0.63
MAPT P10636 1/20 0.63
LTA4H P09960 1/20 0.60
HTR7 P34969 2/20 0.54
HTR2A P28223 1/20 0.53

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
SCHEMBL547174 0.87 HTR1A (0.77) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL546374 0.87 HTR1A (0.77) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL11508466 0.84 SLC6A2 (0.72) HTR1ASLC6A2SLC6A4SLC6A3DRD2
SCHEMBL5335460 0.84 HTR1A (0.71) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL546981 0.84 HTR1A (0.71) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL547695 0.84 HTR1A (0.71) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL547169 0.84 HTR1A (0.71) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL11498523 0.82 SLC6A2 (0.70) HTR1ASLC6A2SLC6A4SLC6A3LMNA
SCHEMBL11545675 0.82 SLC6A2 (0.68) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL4322392 0.81 HTR1A (0.68) HTR1ASLC6A2SLC6A4SLC6A3HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112831206-B Inorganic oxide dispersion with controllable water content and preparation method thereof 凯斯科技股份有限公司 2022-12-30 CN claimed
US-20180127389-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors H. LUNDBECK A/S (DK) 2018-05-10 US claimed
US-20070060574-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2007-03-15 US claimed
US-20050014740-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2005-01-20 US claimed
CN-1561336-A Phenyl-piperazine derivatives as serotonin reuptake inhibitors LUNDBECK & CO AS H (DK) 2005-01-05 CN claimed
EP-1436271-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2004-07-14 EP claimed
WO-2003029232-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2003-04-10 WO claimed
CN-112831206-B Inorganic oxide dispersion with controllable water content and preparation method thereof 凯斯科技股份有限公司 2022-12-30 CN disclosed
US-20220047582-A1 PHENYLPIPERAZINE PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) MODULATORS AND THEIR USE SRX CARDIO, LLC 2022-02-17 US disclosed
US-20210276966-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors H. LUNDBECK A/S (DK) 2021-09-09 US disclosed
US-10844029-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2020-11-24 US disclosed
US-20180127389-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors H. LUNDBECK A/S (DK) 2018-05-10 US disclosed
US-9708280-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2017-07-18 US disclosed
CN-1145620-A New piperazine derivatives and its prepn. SAMJIN PHARM CO LTD (KR) 1997-03-19 CN disclosed
EP-0755923-A1 AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR SUNTORY LIMITED (JP) 1997-01-29 EP disclosed
EP-0749425-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARM. CO., LTD. (KR) 1996-12-27 EP disclosed
WO-1996021648-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1996-07-18 WO disclosed
US-4328223-A 2-Amino-3a,4,5,6-tetrahydro-perimidine derivatives and their medicinal use in combatting circulatory diseases BAYER AKTIENGESELLSCHAFT (DE) 1982-05-04 US disclosed
EP-0004904-A1 2-Amino-3a,4,5,6-tetrahydroperimidine derivatives, medicaments containing them and process for their preparation BAYER AG (DE) 1979-10-31 EP disclosed
US-4064245-A N-Phenoxyphenyl-piperazines SCIENCE UNION ET CIE, SOCIETE FRANCAISE DE RECHERCHE MEDICALE (FR) 1977-12-20 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 (6 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-20050014740-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C HTR1A 5/4885SLC6A2 21/4885SLC6A4 7/4885
US-20180127389-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C HTR1A 5/4885SLC6A2 21/4885SLC6A4 7/4885
US-20220047582-A1 PHENYLPIPERAZINE PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) MODULATORS AND THEIR USE PCSK9, LDLR, PCSK7 HTR1A 1740/4885SLC6A2 4641/4885SLC6A4 4548/4885
US-20210276966-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C HTR1A 5/4885SLC6A2 21/4885SLC6A4 7/4885
US-20070060574-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS TPH1, HTR5A, HTR2C HTR1A 5/4885SLC6A2 21/4885SLC6A4 7/4885
US-10844029-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C HTR1A 5/4885SLC6A2 21/4885SLC6A4 7/4885

“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.