SCHEMBL174306

SCHEMBL174306

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.49
HRH3 Q9Y5N1 3/20 0.49
HTR3A P46098 2/20 0.49
TSHR P16473 2/20 0.49
CYP2D6 P10635 2/20 0.49
BLM P54132 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SCN1A P35498 3/20 0.47
SCN2A Q99250 3/20 0.47
SCN3A Q9NY46 3/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KCNH2 Q12809 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2C P28335 1/20 0.44
CHRNA4 P43681 1/20 0.44

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
SCHEMBL20335185 0.87 ALDH1A1 (0.37) MAOAHRH3HTR3ASCN1ASCN2A
SCHEMBL6677 0.84 HRH3 (0.67) MAOAHRH3HTR3ATSHRCYP2D6
Water SCHEMBL8171709 0.83 HRH3 (0.65) MAOAHRH3HTR3ATSHRCYP2D6
Hydrochloric Acid SCHEMBL24097 0.83 BLM (0.68) MAOAHRH3HTR3ATSHRCYP2D6
Procaine SCHEMBL174070 0.82 CYP2D6 (0.69) MAOAHRH3HTR3ATSHRCYP2D6
SCHEMBL25282932 0.80 CYP2D6 (0.65) MAOAHRH3HTR3ATSHRCYP2D6
Choline SCHEMBL3808986 0.76 HRH3 (0.55) MAOAHRH3HTR3ATSHRCYP2D6
SCHEMBL5925633 0.76 TERT (0.37) BLMSCN1ASCN2ASCN3AALDH1A1
SCHEMBL3840896 0.74 SMN1; SMN2 (0.53) MAOAHRH3HTR3ATSHRCYP2D6
SCHEMBL28853482 0.74 CYP2D6 (0.74) MAOAHRH3HTR3ATSHRCYP2D6

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 7 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

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 MAOA 2298/4885HRH3 1288/4885HTR3A 1300/4885
US-20110245251-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 MAOA 1425/4885HRH3 2339/4885HTR3A 1529/4885

“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.