SCHEMBL3310194

SCHEMBL3310194

CC(Cl)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.54
ALDH1A1 P00352 4/20 0.49
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
SLC6A2 P23975 1/20 0.42
TSHR P16473 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
MAPT P10636 1/20 0.40
EPHX2 P34913 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX1 P07099 1/20 0.39
KIF11 P52732 1/20 0.39
HSD11B1 P28845 1/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
HPGD P15428 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
SCHEMBL1046493 0.83 PDE2A (0.54) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL2056155 0.83 PDE2A (0.58) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL84428 0.83 ALDH1A1 (0.65) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL14033589 0.83 PDE2A (0.49) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL29118208 0.83 PDE2A (0.49) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL11452590 0.80 PDE2A (0.47) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL28869406 0.80 PDE2A (0.51) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL18476237 0.80 PDE2A (0.51) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL18291828 0.79 PDE2A (0.54) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL5924733 0.79 PDE2A (0.54) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160101-A Synthetic method of (R) -1, 3-diaryl butene compound 南京工业大学 2022-10-11 CN disclosed
US-11332459-B2 Benzimidazole derivatives and their uses TEIJIN PHARMA LIMITED (JP) 2022-05-17 US disclosed
US-20200308145-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USES AMGEN INC. (US) 2020-10-01 US disclosed
US-8318751-B2 Pyrimidinone derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-8114879-B2 4-piperazine-4-piperidine-1-ketone derivatives; graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2012-02-14 US disclosed
US-8114879-B2 4-piperazine-4-piperidine-1-ketone derivatives; graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2012-02-14 US disclosed
EP-1632479-B1 Pharmaceutical compositions comprising CCR5 antagonizing piperazine derivatives SCHERING CORP (US) 2011-01-12 EP disclosed
US-7825121-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2010-11-02 US disclosed
US-7825121-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2010-11-02 US disclosed
US-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2010-05-06 US disclosed
EP-2148870-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-02-03 EP disclosed
WO-2008130584-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 WO disclosed
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-08-07 US disclosed
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-08-07 US disclosed
US-7384944-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 US disclosed
US-7384944-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 US disclosed
WO-2007050375-A2 PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2007-05-03 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-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR2 PDE2A 2769/4885ALDH1A1 2736/4885SLC6A4 383/4885
US-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GPR180, GPR17 PDE2A 365/4885ALDH1A1 748/4885SLC6A4 1654/4885
US-20200308145-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USES TRPC6, TRPV6, TRPM6 PDE2A 851/4885ALDH1A1 1564/4885SLC6A4 229/4885
US-11332459-B2 Benzimidazole derivatives and their uses TRPC6, TRPV6, TRPM6 PDE2A 851/4885ALDH1A1 1564/4885SLC6A4 229/4885

“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.