SCHEMBL4887938

SCHEMBL4887938

C[C@H]1CNCCN1c1cc(F)cc(-c2ccccc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.40
HTR2C P28335 7/20 0.39
HTR2A P28223 3/20 0.39
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
HTR2B P41595 5/20 0.39
HTR7 P34969 4/20 0.38
HTR1A P08908 2/20 0.38
HTR3A P46098 1/20 0.38
HTR6 P50406 1/20 0.38
GSK3B P49841 2/20 0.37
RAD52 P43351 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL4880892 1.00 GRM5 (0.40) GRM5HTR2CHTR2AALOX5APFEN1
SCHEMBL4880885 1.00 GRM5 (0.40) GRM5HTR2CHTR2AALOX5APFEN1
SCHEMBL4878045 0.88 HTR2C (0.46) GRM5HTR2CHTR2AHTR2BHTR7
SCHEMBL4880141 0.88 HTR2C (0.46) GRM5HTR2CHTR2AHTR2BHTR7
SCHEMBL4878025 0.88 HTR2C (0.46) GRM5HTR2CHTR2AHTR2BHTR7
SCHEMBL4890068 0.86 HTR7 (0.44) GRM5HTR2CHTR2BHTR7HTR1A
SCHEMBL4886472 0.86 HTR7 (0.44) GRM5HTR2CHTR2BHTR7HTR1A
SCHEMBL4886468 0.86 HTR7 (0.44) GRM5HTR2CHTR2BHTR7HTR1A
SCHEMBL4881190 0.82 HTR7 (0.46) GRM5HTR2CHTR2AHTR2BHTR7
SCHEMBL4885654 0.82 HTR7 (0.46) GRM5HTR2CHTR2AHTR2BHTR7

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-20080255137-A1 N-Biaryl and N-Arylheteroaryl 2-Substituted Piperazine Derivatives as Modulators of the 5ht2c Receptor Useful for the Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2008-10-16 US disclosed
EP-1831188-A1 N-BIARYL AND N-ARYLHETEROARYL 2-SUBSTITUTED PIPERAZINE DERIVATIVES AS MODULATORS OF THE 5HT2C RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
WO-2006065706-A9 N-BIARYL AND N-ARYLHETEROARYL 2-SUBSTITUTED PIPERAZINE DERIVATIVES AS MODULATORS OF THE 5HT2C RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2007-07-26 WO disclosed
WO-2006065706-A1 N-BIARYL AND N-ARYLHETEROARYL 2-SUBSTITUTED PIPERAZINE DERIVATIVES AS MODULATORS OF THE 5HT2C RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-06-22 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-20080255137-A1 N-Biaryl and N-Arylheteroaryl 2-Substituted Piperazine Derivatives as Modulators of the 5ht2c Receptor Useful for the Treatment of Disorders Related Thereto HTR2C, HTR2A, HTR5A GRM5 199/4885HTR2C 1/4885HTR2A 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.