SCHEMBL4202385

SCHEMBL4202385

O=C1Nc2cccc(N3CCN(Cc4ccccc4)CC3)c2C1=O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
DRD2 P14416 8/20 0.62
DRD4 P21917 8/20 0.62
DRD3 P35462 7/20 0.62
HTR1A P08908 1/20 0.50
ALDH1A1 P00352 1/20 0.49
TRPC5 Q9UL62 1/20 0.48
HTR6 P50406 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL28255683 0.79 MAPT (0.53) MAPTNPSR1TDP1L3MBTL1ALDH1A1
SCHEMBL6888226 0.76 CES1 (0.47) DRD2DRD4DRD3HTR1AALDH1A1
SCHEMBL5364887 0.76 DRD2 (0.55) MAPTNPSR1TDP1L3MBTL1DRD2
Hydrochloric Acid SCHEMBL11203073 0.75 DRD2 (0.78) MAPTNPSR1TDP1L3MBTL1DRD2
SCHEMBL8311608 0.74 MAPT (0.62) MAPTNPSR1TDP1L3MBTL1DRD2
SCHEMBL10472333 0.71 DRD4 (0.55) MAPTNPSR1TDP1L3MBTL1DRD2
SCHEMBL6864941 0.71 DRD4 (0.81) DRD2DRD4DRD3ALDH1A1SIGMAR1
SCHEMBL12000243 0.70 DRD4 (0.64) MAPTNPSR1TDP1L3MBTL1DRD2
SCHEMBL1442567 0.70 DRD2 (1.00) MAPTNPSR1TDP1L3MBTL1DRD2
SCHEMBL16798770 0.70 CES1 (0.46) MAPTTDP1DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743796-B2 PSYCHOLOGICAL DISORDERS; SCHIZOPHRENIA; PARKINSON'S DISEASE WYETH 2004-06-01 US claimed
US-20030013722-A1 Psychological disorders; schizophrenia; Parkinson's disease WYETH 2003-01-16 US claimed
WO-2002090327-A1 PIPERAZINYL-ISATINS WYETH (US) 2002-11-14 WO claimed
EP-2032584-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF Wyeth (US) 2009-03-11 EP disclosed
US-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 US disclosed
WO-2007146138-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF WYETH (US) 2007-12-21 WO disclosed
US-6743796-B2 PSYCHOLOGICAL DISORDERS; SCHIZOPHRENIA; PARKINSON'S DISEASE WYETH 2004-06-01 US disclosed
US-20030013722-A1 Psychological disorders; schizophrenia; Parkinson's disease WYETH 2003-01-16 US disclosed
WO-2002090327-A1 PIPERAZINYL-ISATINS WYETH (US) 2002-11-14 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 (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-20030013722-A1 Psychological disorders; schizophrenia; Parkinson's disease HTR2C, HTR3C, HTR5A MAPT 985/4885NPSR1 122/4885TDP1 2020/4885
US-20080125469-A1 Thiadiazole compounds and methods of use thereof ADAMTS5, ADAMTS1, TIMP3 MAPT 1320/4885NPSR1 4269/4885TDP1 666/4885

“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.