SCHEMBL7058962

SCHEMBL7058962

COc1cc(F)ccc1N1CCN(Cc2ccc3cc(F)ccc3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
DRD2 P14416 5/20 0.50
DRD3 P35462 4/20 0.50
MAPK1 P28482 3/20 0.49
DRD4 P21917 3/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDE10A Q9Y233 1/20 0.45
HTR1A P08908 4/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL6195674 0.91 MAPK1 (0.53) KMT2ADRD2DRD3MAPK1DRD4
SCHEMBL6194286 0.87 KDM4E (0.49) KMT2ADRD2DRD3MAPK1DRD4
SCHEMBL6195013 0.84 MCHR1 (0.49) KMT2AMEN1DRD2DRD3ALDH1A1
SCHEMBL6192405 0.82 MAPK1 (0.47) KMT2AMEN1DRD2DRD3MAPK1
SCHEMBL6196310 0.80 DRD2 (0.45) DRD2DRD3MAPK1HTR1AADRA1D
SCHEMBL6192022 0.79 NPC1 (0.67) DRD2DRD3MAPK1DRD4KDM4E
SCHEMBL11719727 0.77 DRD2 (0.56) KMT2AMEN1DRD2DRD3MAPK1
SCHEMBL10819392 0.76 DRD2 (0.58) KMT2AMEN1DRD2DRD3MAPK1
SCHEMBL14044704 0.76 MCHR1 (0.48) KMT2AMEN1DRD2DRD3ALDH1A1
SCHEMBL12962208 0.75 NPC1 (0.61) DRD2DRD3MAPK1DRD4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E KMT2A 2287/4885MEN1 1822/4885DRD2 163/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C KMT2A 3319/4885MEN1 2190/4885DRD2 85/4885

“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.