SCHEMBL5632308

SCHEMBL5632308

C[C@@H]1CN(C)CCN1c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
DRD2 P14416 2/20 0.44
USP2 O75604 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
ABCB11 O95342 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
SCHEMBL5631707 1.00 HTR2A (0.44) HTR2AMEN1KMT2AALDH1A1LMNA
SCHEMBL5630502 1.00 HTR2A (0.44) HTR2AMEN1KMT2AALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL5631208 0.87 NOTUM (0.43) HTR2AMEN1KMT2AALDH1A1LMNA
SCHEMBL5631612 0.79 POLB (0.40) ALDH1A1HTR2CHTR2BGSK3B
SCHEMBL5631377 0.79 POLB (0.40) ALDH1A1HTR2CHTR2BGSK3B
SCHEMBL5630357 0.79 POLB (0.40) ALDH1A1HTR2CHTR2BGSK3B
SCHEMBL18966917 0.77 MEN1 (0.45) MEN1KMT2AALDH1A1LMNACYP1A2
SCHEMBL5632251 0.77 HTR2A (0.48) HTR2AMEN1KMT2AALDH1A1LMNA
SCHEMBL5632281 0.77 HTR2A (0.48) HTR2AMEN1KMT2AALDH1A1LMNA
SCHEMBL5632253 0.77 HTR2A (0.48) HTR2AMEN1KMT2AALDH1A1LMNA

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 6 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
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
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 HTR2A 2/4885MEN1 1443/4885KMT2A 1550/4885

“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.