SCHEMBL4696312

SCHEMBL4696312

Cn1ncc(Cl)c1-c1cc(N)ccc1OCCN1CCC(O)CC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.54
HTR2C P28335 13/20 0.54
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL1166220 0.90 HTR2A (0.52) HTR2AHTR2C
SCHEMBL4698343 0.89 HTR2A (0.64) HTR2AHTR2C
SCHEMBL1166894 0.88 HTR2A (0.54) HTR2AHTR2C
SCHEMBL4697851 0.88 HTR2A (0.65) HTR2AHTR2C
SCHEMBL4696308 0.87 HTR2A (0.56) HTR2AHTR2C
SCHEMBL1165991 0.86 HTR2C (0.66) HTR2AHTR2C
SCHEMBL3909662 0.81 HTR2A (0.56) HTR2AHTR2C
SCHEMBL4695984 0.81 HTR2A (0.64) HTR2AHTR2C
SCHEMBL4267540 0.80 KDM4E (0.48) HTR2AHTR2CCYP1A2CYP2D6CYP2C9
SCHEMBL4037252 0.80 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 13 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
US-7884101-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) 2011-02-08 US disclosed
US-7884101-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) 2011-02-08 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
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
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
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

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 HTR2A 4/4885HTR2C 5/4885CYP1A2 80/4885
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 HTR2A 3/4885HTR2C 5/4885CYP1A2 61/4885
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 HTR2A 4/4885HTR2C 5/4885CYP1A2 80/4885
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 HTR2A 3/4885HTR2C 5/4885CYP1A2 61/4885
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 HTR2A 3/4885HTR2C 5/4885CYP1A2 61/4885
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 HTR2A 3/4885HTR2C 5/4885CYP1A2 61/4885

“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.