SCHEMBL3848435

SCHEMBL3848435

CS(=O)(=O)c1ccccc1N1CCNCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.67
DRD2 P14416 2/20 0.59
ADRB1 P08588 4/20 0.56
HTR3E A5X5Y0 2/20 0.51
HTR3B O95264 2/20 0.51
HTR3A P46098 2/20 0.51
HTR3D Q70Z44 2/20 0.51
HTR3C Q8WXA8 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
CYP2C19 P33261 1/20 0.51
DRD3 P35462 1/20 0.51
HTR7 P34969 3/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HTR1A P08908 2/20 0.49
HTR2A P28223 2/20 0.49
HTR5A P47898 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
NCF1 P14598 1/20 0.49

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
Hydrochloric Acid SCHEMBL3882302 0.92 HTR6 (0.58) HTR6DRD2ADRB1HTR3EHTR3B
SCHEMBL2785964 0.84 HTR6 (0.54) HTR6DRD2ADRB1HTR3EHTR3B
SCHEMBL8632814 0.83 HTR6 (0.67) HTR6DRD2ADRB1HTR3EHTR3B
SCHEMBL4261189 0.83 HTR6 (0.67) HTR6DRD2ADRB1HTR3EHTR3B
SCHEMBL4825361 0.82 DRD2 (0.62) HTR6DRD2CYP2C19MAPTTSHR
SCHEMBL25896846 0.82 HTR6 (0.61) HTR6DRD2ADRB1HTR3EHTR3B
Water SCHEMBL6904877 0.81 HTR6 (0.65) HTR6DRD2ADRB1HTR3EHTR3B
SCHEMBL4573952 0.81 HTR6 (0.70) HTR6ADRB1HTR3EHTR3BHTR3A
SCHEMBL24712697 0.81 DRD2 (0.69) HTR6DRD2DRD3LMNAMAPT
SCHEMBL3796417 0.80 HTR6 (1.00) HTR6DRD2HTR7HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 US disclosed
CN-103936650-B Acid imide Phenylpiperazine derivatives and salt, preparation method and purposes GUANGZHOU MEDICAL UNIVERSITY (CN) 2016-01-20 CN disclosed
CN-103936650-A Imide phenylpiperazine derivatives as well as salts, preparation method and application of imide phenylpiperazine derivatives UNIV GUANGZHOU MEDICAL 2014-07-23 CN disclosed
WO-2013066729-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-10 WO disclosed
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
US-7488730-B2 N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-phenyl-1-piperazinealkylamide derivatives, and therapeutic use thereof as 5-HT7 receptor ligands UNIVERSITA DEGLI STUDI DI BARI (IT) 2009-02-10 US disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-20070117811-A1 N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-phenyl-1-piperazinealkylamide derivatives, and therapeutic use thereof as 5-HT7 receptor ligands UNIVERSITA DEGLI STUDI DI BARI (IT) 2007-05-24 US disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 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 (2 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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 HTR6 730/4885DRD2 4651/4885ADRB1 746/4885
US-20070117811-A1 N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-phenyl-1-piperazinealkylamide derivatives, and therapeutic use thereof as 5-HT7 receptor ligands HTR7, HTR3A, HTR1E HTR6 12/4885DRD2 187/4885ADRB1 100/4885

“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.