SCHEMBL546772

SCHEMBL546772

CC1CN(c2ccccc2N)CC(C)N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
GAA P10253 4/20 0.56
MEN1 O00255 4/20 0.56
USP2 O75604 2/20 0.56
ADRA2C P18825 1/20 0.50
KEAP1 Q14145 1/20 0.48
HDAC1 Q13547 1/20 0.43
HTT P42858 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 2/20 0.41
SIGMAR1 Q99720 3/20 0.38
PTPN11 Q06124 2/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL16070774 0.86 MEN1 (0.41) KMT2AGAAMEN1USP2ADRA2C
SCHEMBL8259618 0.83 HDAC1 (0.40) KMT2AGAAMEN1USP2ADRA2C
SCHEMBL547368 0.81 MEN1 (0.56) KMT2AGAAMEN1USP2ADRA2C
SCHEMBL16585816 0.79 ADRB1 (0.52) KMT2AMEN1HTTTP53SIGMAR1
SCHEMBL18043600 0.79 ADRB1 (0.52) KMT2AMEN1HTTTP53SIGMAR1
SCHEMBL2771146 0.78 KMT2A (0.56) KMT2AGAAMEN1USP2ADRA2C
SCHEMBL18040067 0.78 GAA (0.56) KMT2AGAAMEN1USP2ADRA2C
SCHEMBL3090131 0.78 KMT2A (0.56) KMT2AGAAMEN1USP2ADRA2C
SCHEMBL3070877 0.78 KMT2A (0.56) KMT2AGAAMEN1USP2ADRA2C
SCHEMBL14034742 0.77 PRMT5 (0.45) KMT2AGAAMEN1USP2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436271-B3 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H LUNDBECK AS (DK) 2022-04-20 EP 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
US-20160137620-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors H. LUNDBECK A/S (DK) 2016-05-19 US disclosed
US-9090575-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2015-07-28 US disclosed
US-20140163043-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2014-06-12 US disclosed
US-8476279-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2013-07-02 US disclosed
US-20120302553-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2012-11-29 US disclosed
US-7148238-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2006-12-12 US disclosed
US-7144884-B2 E.g., 4-[2-(4-Methylphenoxy)- or 4-[2-(4-Methylphenylsulfanyl)-phenyl]-3,6-dihydro-2H-pyridine or piperazine or the hydrochloride or oxalate; treating depression, anxiety disorder, and obsessive compulsive disorder. H. LUNDBECK A/S (DK) 2006-12-05 US disclosed
US-7138407-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2006-11-21 US disclosed
US-7067501-B2 Aryloxyphenyl and arylsulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2006-06-27 US disclosed
US-20060089368-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2006-04-27 US disclosed
US-20060084662-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2006-04-20 US disclosed
US-20050171061-A1 Aryloxyphenyl and arylsulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2005-08-04 US disclosed
US-20050014740-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2005-01-20 US disclosed
EP-1436271-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2004-07-14 EP disclosed
WO-2003029232-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2003-04-10 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 (10 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-20060089368-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C KMT2A 2900/4885GAA 1105/4885MEN1 4416/4885
US-20140163043-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS TPH1, HTR5A, HTR2C KMT2A 2900/4885GAA 1105/4885MEN1 4416/4885
US-20050014740-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C KMT2A 2900/4885GAA 1105/4885MEN1 4416/4885
US-20180127389-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C KMT2A 2900/4885GAA 1105/4885MEN1 4416/4885
US-20060084662-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C KMT2A 2900/4885GAA 1105/4885MEN1 4416/4885
US-20210276966-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C KMT2A 2900/4885GAA 1105/4885MEN1 4416/4885
US-20120302553-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS TPH1, HTR5A, HTR2C KMT2A 2900/4885GAA 1105/4885MEN1 4416/4885
US-20160137620-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C KMT2A 2900/4885GAA 1105/4885MEN1 4416/4885
US-20050171061-A1 Aryloxyphenyl and arylsulfanylphenyl derivatives SLC1A5, SLC6A7, SLC6A19 KMT2A 3754/4885GAA 304/4885MEN1 2743/4885
US-10844029-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C KMT2A 2900/4885GAA 1105/4885MEN1 4416/4885

“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.