SCHEMBL6196310

SCHEMBL6196310

Fc1ccc2nc(CN3CCN(c4ccccc4OCC(F)(F)F)CC3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.45
DRD3 P35462 3/20 0.45
ADRA1A P35348 11/20 0.44
ADRA1B P35368 11/20 0.44
ADRA1D P25100 10/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 1/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL6195022 0.89 HTR1A (0.52) DRD2DRD3ADRA1AADRA1BADRA1D
SCHEMBL7058962 0.80 KMT2A (0.51) DRD2DRD3ADRA1AADRA1BADRA1D
SCHEMBL6195674 0.76 MAPK1 (0.53) DRD2DRD3ADRA1AADRA1BADRA1D
SCHEMBL6195742 0.73 DRD2 (0.55) DRD2DRD3ADRA1AHTR1AHTR7
SCHEMBL6192022 0.72 NPC1 (0.67) DRD2DRD3ADRA1AADRA1BADRA1D
SCHEMBL6752995 0.72 MCHR1 (0.47) DRD2DRD3ADRA1AADRA1BADRA1D
SCHEMBL24712880 0.70 DRD2 (0.59) DRD2DRD3ADRA1AADRA1BADRA1D
SCHEMBL4808090 0.69 SLC6A2 (0.50)
SCHEMBL12962208 0.69 NPC1 (0.61) DRD2DRD3ADRA1AADRA1BADRA1D
SCHEMBL7835709 0.69 ADRA1A (0.60) DRD2DRD3ADRA1AADRA1BADRA1D

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
EP-1432701-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI IRELAND LTD (IE) 2005-12-21 EP disclosed
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 DRD2 163/4885DRD3 177/4885ADRA1A 36/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C DRD2 85/4885DRD3 95/4885ADRA1A 27/4885

“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.