SCHEMBL4696645

SCHEMBL4696645

Cn1ncc(Br)c1-c1cc(C(N)=O)ccc1OCC1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.44
HTR2A P28223 14/20 0.43
HTR2C P28335 13/20 0.43
IRAK4 Q9NWZ3 1/20 0.41
AKT1 P31749 2/20 0.40
KDM1A O60341 1/20 0.40

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
SCHEMBL4697142 0.90 HTR2A (0.44) HTR2AHTR2C
SCHEMBL4696649 0.85 PRKCZ (0.45) HTR2AHTR2C
SCHEMBL5242619 0.83 HTR2A (0.47) HTR2AHTR2CAKT1
SCHEMBL4697467 0.82 CHEK2 (0.46) CHEK2HTR2AHTR2CIRAK4
SCHEMBL5243165 0.80 HTR2A (0.47) CHEK2HTR2AHTR2C
SCHEMBL3905583 0.80 HTR2A (0.49) HTR2AHTR2C
SCHEMBL1165917 0.80 HTR2A (0.72) HTR2AHTR2C
SCHEMBL4697500 0.79 HTR2A (0.55) HTR2AHTR2C
SCHEMBL4695702 0.78 HTR2A (0.66) HTR2AHTR2C
SCHEMBL1165851 0.77 HTR2A (0.48) HTR2AHTR2C

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10781180-B2 3-phenyl-pyrazole derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2020-09-22 US disclosed
US-20190263757-A1 3-PHENYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-08-29 US disclosed
US-20160304463-A1 3-PHENYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2016-10-20 US disclosed
US-8785441-B2 3-phenyl-pyrazole derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-20130237540-A1 3-PHENYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2013-09-12 US disclosed
EP-1978019-A1 3-phenyl-pyrazole derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto Arena Pharmaceuticals, Inc. (US) 2008-10-08 EP disclosed
EP-1833799-B1 3-PHENYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT-2a SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2008-09-10 EP disclosed
US-20070244086-A1 3-Phenyl-Pyrazole Derivatives as Modulators of the 5-Ht2A Serotonin Receptor Useful for the Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. 2007-10-18 US disclosed
EP-1833799-A2 3-PHENYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT-2a SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2007-09-19 EP disclosed
US-20070207994-A1 3-Phenyl-pyrazole derivatives as modulators of the 5-HT2a serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2007-09-06 US disclosed
WO-2006055734-A2 3-PHENYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-05-26 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 (6 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-20130237540-A1 3-PHENYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR3A, HTR3B CHEK2 4498/4885HTR2A 4/4885HTR2C 5/4885
US-20160304463-A1 3-PHENYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR3A, HTR2A CHEK2 4426/4885HTR2A 3/4885HTR2C 5/4885
US-20070207994-A1 3-Phenyl-pyrazole derivatives as modulators of the 5-HT2a serotonin receptor useful for the treatment of disorders related thereto HTR5A, HTR3A, HTR3B CHEK2 4498/4885HTR2A 4/4885HTR2C 5/4885
US-20190263757-A1 3-PHENYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR3A, HTR2A CHEK2 4426/4885HTR2A 3/4885HTR2C 5/4885
US-10781180-B2 3-phenyl-pyrazole derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto HTR5A, HTR3A, HTR2A CHEK2 4426/4885HTR2A 3/4885HTR2C 5/4885
US-20070244086-A1 3-Phenyl-Pyrazole Derivatives as Modulators of the 5-Ht2A Serotonin Receptor Useful for the Treatment of Disorders Related Thereto HTR5A, HTR3A, HTR2A CHEK2 4426/4885HTR2A 3/4885HTR2C 5/4885

“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.