SCHEMBL5631377

SCHEMBL5631377

C[C@@H]1CN(C)CCN1c1cc(Cl)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
GSK3B P49841 2/20 0.37
ALK Q9UM73 1/20 0.36
OPRL1 P41146 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
ATR Q13535 1/20 0.35

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
SCHEMBL5631612 1.00 POLB (0.40) POLBHTR2CHTR2BGSK3BALK
SCHEMBL5630357 1.00 POLB (0.40) POLBHTR2CHTR2BGSK3BALK
Trifluoroacetic Acid SCHEMBL5632304 0.88 F2 (0.44) TRPV4ATR
SCHEMBL5630437 0.81 TRPV4 (0.47) POLBHTR2CHTR2BGSK3BALDH1A1
SCHEMBL5631583 0.81 TRPV4 (0.47) POLBHTR2CHTR2BGSK3BALDH1A1
SCHEMBL5630445 0.81 TRPV4 (0.47) POLBHTR2CHTR2BGSK3BALDH1A1
SCHEMBL5632308 0.79 HTR2A (0.44) HTR2CHTR2BGSK3BALDH1A1
SCHEMBL5630502 0.79 HTR2A (0.44) HTR2CHTR2BGSK3BALDH1A1
SCHEMBL5631707 0.79 HTR2A (0.44) HTR2CHTR2BGSK3BALDH1A1
SCHEMBL17809477 0.77 DRD2 (0.50) ALDH1A1

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 4 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
EP-1644347-A1 N-PHENYL-PIPERAZINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT sb 2C /sb RECEPTOR ASSOCIATED DISEASES Arena Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
WO-2005016902-A1 N-PHENYL-PIPERAZINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-02-24 WO 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 POLB 2084/4885HTR2C 1/4885HTR2B 4/4885

“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.