SCHEMBL6197463

SCHEMBL6197463

O=[N+]([O-])c1ccc2c(c1)CCC(CO)N2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.54
ADRA2A P08913 4/20 0.54
SIRT2 Q8IXJ6 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
SLC6A4 P31645 1/20 0.45
DRD3 P35462 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
GRIN2B Q13224 2/20 0.41
MAPK1 P28482 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
SCHEMBL6195263 0.87 SIRT2 (0.45) PNMTADRA2ASIRT2CYP1A2CYP2D6
SCHEMBL7456470 0.86 PNMT (0.56) PNMTADRA2ASIRT2CYP1A2CYP2D6
SCHEMBL27470339 0.86 PNMT (0.64) PNMTADRA2ASIRT2ADRA2BADRA2C
SCHEMBL2776754 0.81 PNMT (0.42) PNMTADRA2ASIRT2CYP1A2CYP2D6
SCHEMBL2778779 0.80 PNMT (0.46) PNMTADRA2ASIRT2CYP1A2CYP2D6
SCHEMBL2857664 0.78 ALDH1A1 (0.52) PNMTADRA2ASIRT2ADRA2BADRA2C
SCHEMBL10270869 0.78 SIRT2 (0.47) PNMTADRA2ASIRT2ADRA2BADRA2C
SCHEMBL6192228 0.76 PNMT (0.50) PNMTADRA2ACYP1A2CYP2D6ADRA2B
SCHEMBL27799204 0.76 SIRT2 (0.45) PNMTADRA2ASIRT2ADRA2BADRA2C
SCHEMBL8238979 0.75 TRPM5 (0.43) CYP1A2CYP2D6SLC6A4DRD3OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432701-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI IRELAND LTD (IE) 2005-12-21 EP disclosed
CN-1564820-A Heterocyclic compounds for use in the treatment of disorders of the urinary tract RECORDATI CHEM PHARM (CH) 2005-01-12 CN disclosed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 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 (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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E PNMT 251/4885ADRA2A 48/4885SIRT2 2319/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C PNMT 186/4885ADRA2A 30/4885SIRT2 1646/4885

“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.