SCHEMBL9565829

SCHEMBL9565829

CC(=O)N1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.62
ALDH1A1 P00352 3/20 0.61
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 2/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 2/20 0.54
NCF1 P14598 2/20 0.54
RAB9A P51151 1/20 0.54
GRM5 P41594 1/20 0.54
GAA P10253 2/20 0.52
GLA P06280 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
USP2 O75604 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
MCHR1 Q99705 1/20 0.52
HTR7 P34969 1/20 0.51

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
SCHEMBL2857040 0.84 AKR1C3 (0.64) AKR1C3ALDH1A1MEN1KMT2AMAPT
SCHEMBL17276412 0.84 AKR1C3 (0.64) AKR1C3ALDH1A1MEN1KMT2AMAPT
SCHEMBL17996848 0.83 ALDH1A1 (0.55) AKR1C3ALDH1A1MEN1KMT2AMAPT
SCHEMBL6716320 0.82 AKR1C3 (0.62) AKR1C3ALDH1A1MEN1KMT2AMAPT
SCHEMBL5919531 0.82 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3436305 0.82 ALDH1A1 (0.76) AKR1C3ALDH1A1KMT2ATSHRNCF1
SCHEMBL3801245 0.82 GAA (0.65) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL18701771 0.81 ALDH1A1 (0.58) AKR1C3ALDH1A1MEN1KMT2AMAPT
SCHEMBL19962180 0.81 SMN1; SMN2 (0.60) AKR1C3ALDH1A1MEN1KMT2AMAPT
SCHEMBL12781876 0.81 TSHR (0.61) AKR1C3ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3642209-B1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC (US) 2023-11-29 EP disclosed
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
US-20180127389-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors H. LUNDBECK A/S (DK) 2018-05-10 US disclosed
US-9926286-B2 Vortioxetine intermediate and synthesis process thereof SHANGHAI SYNCORES TECHNOLOGIES INC. LTD. (CN) 2018-03-27 US disclosed
US-9926286-B2 Vortioxetine intermediate and synthesis process thereof SHANGHAI SYNCORES TECHNOLOGIES INC. LTD. (CN) 2018-03-27 US disclosed
US-9926286-B2 Vortioxetine intermediate and synthesis process thereof SHANGHAI SYNCORES TECHNOLOGIES INC. LTD. (CN) 2018-03-27 US disclosed
US-9920021-B2 Method of preparing vortioxetine ZENTIVA K.S. (CZ) 2018-03-20 US disclosed
US-20170204074-A1 METHOD OF PREPARING VORTIOXETINE ZENTIVA K.S. (CZ) 2017-07-20 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-8110567-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2012-02-07 US disclosed
US-20110009423-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2011-01-13 US disclosed
US-7683053-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2010-03-23 US disclosed
US-20070060574-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2007-03-15 US disclosed
EP-0548798-A1 Antiviral agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-06-30 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 (7 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-20140163043-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS TPH1, HTR5A, HTR2C AKR1C3 2187/4885ALDH1A1 191/4885MEN1 4416/4885
US-20180127389-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C AKR1C3 2187/4885ALDH1A1 191/4885MEN1 4416/4885
US-20120302553-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS TPH1, HTR5A, HTR2C AKR1C3 2187/4885ALDH1A1 191/4885MEN1 4416/4885
US-20070060574-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS TPH1, HTR5A, HTR2C AKR1C3 2187/4885ALDH1A1 191/4885MEN1 4416/4885
US-20160137620-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C AKR1C3 2187/4885ALDH1A1 191/4885MEN1 4416/4885
US-20170204074-A1 METHOD OF PREPARING VORTIOXETINE HTR5A, HTR1A, TPH1 AKR1C3 2997/4885ALDH1A1 858/4885MEN1 3824/4885
US-20110009423-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS TPH1, HTR5A, HTR2C AKR1C3 2187/4885ALDH1A1 191/4885MEN1 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.