SCHEMBL12936331

SCHEMBL12936331

COOSc1ccc(-c2nc(C(F)(F)F)nc(N3CCN(c4ccccn4)CC3)c2-c2ccc(F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.40
DRD3 P35462 3/20 0.40
HTR1A P08908 2/20 0.40
ADRA2C P18825 2/20 0.40
DRD1 P21728 2/20 0.40
DRD5 P21918 2/20 0.40
HTR2A P28223 2/20 0.40
HTR7 P34969 2/20 0.40
HRH1 P35367 2/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL12936332 0.90 DRD2 (0.37) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL13018049 0.86 MAPT (0.53) DRD2DRD3LMNAMAPTHTT
SCHEMBL12936333 0.85 PDE4A (0.38) MAPTNPSR1MAPK1SMN1; SMN2KDM4E
SCHEMBL14448840 0.84 PDE4A (0.43) DRD2DRD3HTR1AADRA2CDRD1
SCHEMBL12936363 0.84 MAPT (0.49) MAPTNPSR1MAPK1SMN1; SMN2KDM4E
SCHEMBL2084805 0.82 LMNA (0.49) LMNAMAPTHTTNPSR1MAPK1
SCHEMBL2082958 0.82 HTT (0.54) LMNAMAPTHTTNPSR1MAPK1
SCHEMBL12936336 0.82 KMT2A (0.42) HTR1ALMNAMAPTHTTPOLB
SCHEMBL12964316 0.79 PDE4A (0.46) DRD2DRD3HTR1AADRA2CDRD1
SCHEMBL12936334 0.79 HRH3 (0.39) KDM4EMEN1ALDH1A1KMT2APDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863446-B2 Heterocycles ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-01-04 US disclosed
US-20080207606-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2008-08-28 US disclosed
US-20070167413-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-07-19 US 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-20080207606-A1 Novel heterocycles GPR4, UACA, PDE4A DRD2 3154/4885DRD3 2470/4885HTR1A 2803/4885
US-20070167413-A1 Novel heterocycles MCL1, UACA, MYLK2 DRD2 3623/4885DRD3 3101/4885HTR1A 1300/4885

“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.