SCHEMBL2575981

SCHEMBL2575981

Fc1cc(C(F)(F)F)cnc1N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.50
POLB P06746 1/20 0.48
EPHX2 P34913 1/20 0.47
HTR1D P28221 2/20 0.45
HTR2C P28335 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
ADRB2 P07550 1/20 0.44
NCF1 P14598 1/20 0.44
LCAT P04180 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CXCR3 P49682 1/20 0.41

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 SCHEMBL3658533 0.98 ADRB1 (0.49) ADRB1POLBEPHX2HTR1DHTR2C
Hydrochloric Acid SCHEMBL25426101 0.98 ADRB1 (0.49) ADRB1POLBEPHX2HTR1DHTR2C
SCHEMBL2365866 0.86 ADRB1 (0.51) ADRB1POLBEPHX2HTR1DHTR2C
SCHEMBL18176128 0.85 POLB (0.51) POLBLCATNPC1RAB9ACXCR3
Tert-Butyl Formate SCHEMBL27727243 0.85 SLC6A9 (0.42) ADRB1POLBEPHX2HTR1DHTR2C
SCHEMBL13107612 0.84 SCN10A (0.51) POLB
SCHEMBL232841 0.83 POLB (0.69) POLBALDH1A1MAPTNPC1RAB9A
SCHEMBL24970994 0.83 ADRB1 (0.49) ADRB1POLBEPHX2HTR1DHTR2C
Hydrochloric Acid SCHEMBL31381852 0.83 EPHX2 (0.56) ADRB1POLBEPHX2HTR1DHTR2C
Hydrochloric Acid SCHEMBL25310714 0.82 POLB (0.68) POLBALDH1A1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023139536-A1 (4-PIPERAZIN-1YL)-4-ALKYL-PHTHALAZIN-1(2H)-ONE COMPOUNDS AS PARP7 INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 WO disclosed
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 WO disclosed
US-20210246140-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 US disclosed
US-20210246140-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 US disclosed
WO-2021155196-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 THE GENERAL HOSPITAL CORPORATION (US) 2021-08-05 WO disclosed
CN-105712952-B 2-substituted oxy-5-methylsulfonyl phenyl piperazine amide analogue and preparation method and application thereof 上海翰森生物医药科技有限公司 2021-03-26 CN disclosed
CN-106397312-B Method for preparing GLYT-1 inhibitor 广东东阳光药业有限公司 2020-03-24 CN disclosed
CN-102762549-A Phthalazinone derivative, and preparation method and pharmaceutical use thereof SHANGHAI HENGRUI PHARM CO LTD 2012-10-31 CN disclosed
CN-101622000-B Method for synthesizing GLYT-1 inhibitors HOFFMANN LA ROCHE 2012-07-04 CN disclosed
CN-1874777-B 1-(2-amino-benzoyl)-piperazine derivatives as glycine uptake inhibitors for the treatment of psychoses HOFFMANN LA ROCHE 2012-07-04 CN disclosed
CN-1874777-A 1-(2-amino-benzoyl)-piperazine derivatives as glycine uptake inhibitors for the treatment of psychoses HOFFMANN LA ROCHE (CH) 2006-12-06 CN disclosed
CN-1867554-A Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors HOFFMANN LA ROCHE (CH) 2006-11-22 CN disclosed
WO-2006072435-A1 SULFANYL SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-13 WO disclosed
US-20060149062-A1 Sulfanyl substituted phenyl methanones F. HOFFMANN-LA ROCHE AG (CH) 2006-07-06 US disclosed
EP-1663232-A1 1-(2-AMINO-BENZOYL)-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-07 EP disclosed
EP-1656361-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US disclosed
US-20050070539-A1 Benzoyl-piperazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-03-31 US disclosed
WO-2005023260-A1 1- (2-AMINO-BENZOL) -PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 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 (4 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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 ADRB1 630/4885POLB 2008/4885EPHX2 3608/4885
US-20060149062-A1 Sulfanyl substituted phenyl methanones SULT1A1, SULT2A1, SULT1E1 ADRB1 340/4885POLB 3437/4885EPHX2 2693/4885
US-20210246140-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 GRM1, GRM2, GRIN1 ADRB1 256/4885POLB 4739/4885EPHX2 3154/4885
US-20050070539-A1 Benzoyl-piperazine derivatives OPRL1, ACHE, PNMT ADRB1 97/4885POLB 1335/4885EPHX2 2966/4885

“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.