SCHEMBL4696848

SCHEMBL4696848

CN1CC[C@@H](Oc2ccc(N)cc2-c2ccnn2C)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
USP1 O94782 3/20 0.40
USP8 P40818 3/20 0.40
OTUB1 Q96FW1 3/20 0.40
USP2 O75604 2/20 0.40
HTR2C P28335 5/20 0.39
HTR2B P41595 4/20 0.39
USP36 Q9P275 2/20 0.39
USP30 Q70CQ3 1/20 0.38
HTR2A P28223 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL5242990 0.83 CHEK2 (0.47) NOS3NOS1NOS2HTR2CUSP30
SCHEMBL4696842 0.83 CHEK2 (0.47) NOS3NOS1NOS2HTR2CUSP30
SCHEMBL4698797 0.81 HTR2A (0.41) HTR2CUSP30HTR2AGAASMN1; SMN2
SCHEMBL1166961 0.78 NOS3 (0.42) NOS3NOS1NOS2HTR2CHTR2B
SCHEMBL1166959 0.78 NOS3 (0.42) NOS3NOS1NOS2HTR2CHTR2B
SCHEMBL1166433 0.76 HTR2A (0.52) USP2HTR2CUSP30HTR2A
SCHEMBL4695930 0.76 HTR2A (0.64) HTR2CHTR2A
SCHEMBL30962765 0.75 HTR2C (0.49) NOS3NOS1NOS2HTR2CHTR2B
SCHEMBL30962640 0.75 HTR2C (0.49) NOS3NOS1NOS2HTR2CHTR2B
SCHEMBL31203041 0.75 HTR2C (0.49) NOS3NOS1NOS2HTR2CHTR2B

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 9 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
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 NOS3 85/4885NOS1 250/4885NOS2 162/4885
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 NOS3 109/4885NOS1 278/4885NOS2 179/4885
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 NOS3 85/4885NOS1 250/4885NOS2 162/4885
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 NOS3 109/4885NOS1 278/4885NOS2 179/4885
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 NOS3 109/4885NOS1 278/4885NOS2 179/4885
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 NOS3 109/4885NOS1 278/4885NOS2 179/4885

“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.