SCHEMBL6195022

SCHEMBL6195022

FC(F)(F)COc1ccccc1N1CCN(Cc2ccc3ccccc3n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.52
HTR7 P34969 1/20 0.52
ADRA1A P35348 7/20 0.46
ADRA1B P35368 7/20 0.46
ADRA1D P25100 6/20 0.46
DRD4 P21917 3/20 0.46
FAAH O00519 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL6196310 0.89 DRD2 (0.45) HTR1AHTR7ADRA1AADRA1BADRA1D
SCHEMBL6192022 0.82 NPC1 (0.67) HTR1AHTR7ADRA1AADRA1BADRA1D
SCHEMBL12962208 0.79 NPC1 (0.61) HTR1AHTR7ADRA1AADRA1BADRA1D
SCHEMBL6195674 0.77 MAPK1 (0.53) HTR1AHTR7ADRA1AADRA1BADRA1D
SCHEMBL17289123 0.76 FAAH (0.65) HTR1AHTR7DRD4FAAH
SCHEMBL1331198 0.76 FAAH (0.65) HTR1AHTR7DRD4FAAH
SCHEMBL24712880 0.73 DRD2 (0.59) ADRA1AADRA1BADRA1DDRD4DRD2
SCHEMBL6584608 0.72 FAAH (0.60) HTR1AHTR7DRD4FAAHCYP3A4
SCHEMBL6771682 0.72 ADRA1A (0.60) HTR1AADRA1AADRA1BADRA1DDRD2
SCHEMBL7835709 0.72 ADRA1A (0.60) HTR1AADRA1AADRA1BADRA1DDRD2

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 HTR1A 1/4885HTR7 9/4885ADRA1A 36/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C HTR1A 1/4885HTR7 10/4885ADRA1A 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.