Procaine

Procaine

SCHEMBL174070

CCN(CC)CCOC(=O)c1ccc(N)cc1.CCN(CC)CCc1cc(N)ccc1C(=O)O

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9A

The experimentally established mechanism targets of Procaine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A known ✓ P35498 6/20 0.55
SCN2A known ✓ Q99250 6/20 0.55
SCN3A known ✓ Q9NY46 6/20 0.55
CYP2D6 P10635 5/20 0.69
HRH3 Q9Y5N1 4/20 0.69
TSHR P16473 4/20 0.69
MAOA P21397 3/20 0.69
HTR3A P46098 2/20 0.69
BLM P54132 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
KCNH2 Q12809 4/20 0.58
CHRM2 P08172 2/20 0.58
CHRM3 P20309 1/20 0.58
HTR2C P28335 1/20 0.58
CHRNA4 P43681 1/20 0.58
CYP1A2 P05177 5/20 0.55
PHLPP2 Q6ZVD8 1/20 0.51
LMNA P02545 4/20 0.50
CYP3A4 P08684 3/20 0.49
SLC6A3 Q01959 2/20 0.49

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
SCHEMBL25282932 0.98 CYP2D6 (0.65) CYP2D6HRH3TSHRMAOAHTR3A
SCHEMBL31070925 0.86 MAOA (0.49) CYP2D6HRH3TSHRMAOAHTR3A
SCHEMBL1568843 0.86 MAOA (0.49) CYP2D6HRH3TSHRMAOAHTR3A
Hydrochloric Acid SCHEMBL7238288 0.84 ACHE (0.50) CYP2D6HRH3TSHRMAOAHTR3A
Procaine SCHEMBL1021261 0.83 CYP2D6 (0.94) CYP2D6HRH3TSHRMAOAHTR3A
Procaine SCHEMBL1022025 0.83 CYP2D6 (0.94) CYP2D6HRH3TSHRMAOAHTR3A
Procaine SCHEMBL3524 0.83 CYP2D6 (1.00) CYP2D6HRH3TSHRMAOAHTR3A
Procaine SCHEMBL7639278 0.82 CYP2D6 (0.91) CYP2D6HRH3TSHRMAOAHTR3A
SCHEMBL174306 0.82 MAOA (0.49) CYP2D6HRH3TSHRMAOAHTR3A
Procaine SCHEMBL3731588 0.82 BLM (1.00) CYP2D6HRH3TSHRMAOAHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011127051-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-10-13 WO disclosed
US-20110245251-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
EP-2370413-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2011-10-05 EP disclosed
EP-2367797-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2011-09-28 EP disclosed
US-20110224262-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-09-15 US disclosed
WO-2011037613-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PGI2 RECEPTOR AGONISTS ARENA PHARMACEUTICALS, INC. (US) 2011-03-31 WO disclosed
WO-2011025541-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. (US) 2011-03-03 WO disclosed
EP-2280696-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2011-02-09 EP 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 (2 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-20110224262-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 SCN1A 1310/4885SCN2A 2000/4885SCN3A 1925/4885
US-20110245251-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 SCN1A 1083/4885SCN2A 1653/4885SCN3A 2511/4885

“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.