SCHEMBL5631356

SCHEMBL5631356

C=C[C@H]1CNCCN1c1ccc(OC(F)(F)F)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.37
HTR2B P41595 10/20 0.37
HTR2A P28223 7/20 0.37
SCN4A P35499 1/20 0.35
SCN9A Q15858 1/20 0.35
LIPE Q05469 1/20 0.33
CRHR1 P34998 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
HTR6 P50406 1/20 0.32
TACR1 P25103 1/20 0.31

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
SCHEMBL5634074 1.00 HTR2C (0.37) HTR2CHTR2BHTR2ASCN4ASCN9A
SCHEMBL5631361 1.00 HTR2C (0.37) HTR2CHTR2BHTR2ASCN4ASCN9A
Trifluoroacetic Acid SCHEMBL5630462 0.93 ALDH1A1 (0.37) HTR2CHTR2BHTR2ALIPEALDH1A1
Trifluoroacetic Acid SCHEMBL5732644 0.93 ALDH1A1 (0.37) HTR2CHTR2BHTR2ALIPEALDH1A1
SCHEMBL5631132 0.91 HTR2C (0.35) HTR2CHTR2BHTR2ASCN4ASCN9A
SCHEMBL5632634 0.82 HTR2C (0.45) HTR2CHTR2BHTR2AALDH1A1GAA
SCHEMBL5632202 0.82 HTR2C (0.45) HTR2CHTR2BHTR2AALDH1A1GAA
SCHEMBL5632208 0.82 HTR2C (0.45) HTR2CHTR2BHTR2AALDH1A1GAA
SCHEMBL4434035 0.76 HTR2C (0.50) HTR2CHTR2BHTR2AHTR6
Trifluoroacetic Acid SCHEMBL5732284 0.76 HTR2C (0.42) HTR2CHTR2BHTR2ASCN9AALDH1A1

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-20070179155-A1 N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases ARENA PHARMACEUTICALS, INC. 2007-08-02 US disclosed
CN-1809545-A N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5HT2c ARENA PHARM INC (US) 2006-07-26 CN 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 (1 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-20070179155-A1 N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases HTR2C, HTR2A, HTR5A HTR2C 1/4885HTR2B 4/4885HTR2A 2/4885

“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.