SCHEMBL547368

SCHEMBL547368

CC1CN(c2ccccc2N)CCN1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
USP2 O75604 2/20 0.56
GAA P10253 2/20 0.56
KMT2A Q03164 2/20 0.56
ADRA2C P18825 1/20 0.50
KEAP1 Q14145 1/20 0.49
HDAC1 Q13547 1/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTR2C P28335 1/20 0.42
KHK P50053 2/20 0.40
PRKCQ Q04759 2/20 0.39
ADRB1 P08588 1/20 0.39
MAPT P10636 1/20 0.39
BRPF1 P55201 2/20 0.38
BRD4 O60885 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL17738349 0.82 HDAC1 (0.39) MEN1USP2GAAKMT2AADRA2C
SCHEMBL28936369 0.82 HDAC1 (0.42) MEN1USP2GAAKMT2AADRA2C
SCHEMBL21281577 0.81 ADRB1 (0.61) ALDH1A1LMNAHTR2CKHKADRB1
SCHEMBL21268764 0.81 ADRB1 (0.61) ALDH1A1LMNAHTR2CKHKADRB1
SCHEMBL21268746 0.81 ADRB1 (0.61) ALDH1A1LMNAHTR2CKHKADRB1
SCHEMBL546772 0.81 KMT2A (0.56) MEN1USP2GAAKMT2AADRA2C
SCHEMBL2249111 0.80 NOTUM (0.48) ALDH1A1LMNAHTR2CKHKKDM4E
SCHEMBL2246683 0.80 NOTUM (0.48) ALDH1A1LMNAHTR2CKHKKDM4E
SCHEMBL5268435 0.80 NOTUM (0.48) ALDH1A1LMNAHTR2CKHKKDM4E
SCHEMBL2456774 0.80 ALDH1A1 (0.44) ADRA2CHDAC1ALDH1A1LMNAHTR2C

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-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-1458689-A1 ARYLOXYPHENYL AND ARYLSULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-22 EP disclosed
EP-1436271-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2004-07-14 EP disclosed
WO-2003053942-A1 ARYLOXYPHENYL AND ARYLSULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2003-07-03 WO 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 MEN1 4416/4885USP2 3794/4885GAA 1105/4885
US-20140163043-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS TPH1, HTR5A, HTR2C MEN1 4416/4885USP2 3794/4885GAA 1105/4885
US-20050014740-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C MEN1 4416/4885USP2 3794/4885GAA 1105/4885
US-20180127389-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C MEN1 4416/4885USP2 3794/4885GAA 1105/4885
US-20060084662-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C MEN1 4416/4885USP2 3794/4885GAA 1105/4885
US-20210276966-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C MEN1 4416/4885USP2 3794/4885GAA 1105/4885
US-20120302553-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS TPH1, HTR5A, HTR2C MEN1 4416/4885USP2 3794/4885GAA 1105/4885
US-20160137620-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C MEN1 4416/4885USP2 3794/4885GAA 1105/4885
US-20050171061-A1 Aryloxyphenyl and arylsulfanylphenyl derivatives SLC1A5, SLC6A7, SLC6A19 MEN1 2743/4885USP2 3807/4885GAA 304/4885
US-10844029-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C MEN1 4416/4885USP2 3794/4885GAA 1105/4885

“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.