SCHEMBL6192806

SCHEMBL6192806

Brc1ccc2c(c1)CCC(CI)N2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 8/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ ASIC3 Q9UHC3 1/20 0.35
▸ SRD5A1 P18405 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ MTNR1A P48039 3/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33

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
SCHEMBL6192228 0.83 PNMT (0.50) PNMTADRA2AADRA2BADRA2CESR1
SCHEMBL6196313 0.82 ESR1 (0.39) PNMTADRA2AADRA2BADRA2CESR1
SCHEMBL12450086 0.80 PNMT (0.35) PNMTADRA2AADRA2BADRA2CESR1
SCHEMBL12450081 0.80 PNMT (0.35) PNMTADRA2AADRA2BADRA2CESR1
SCHEMBL2321696 0.77 HTR7 (0.38) PNMTADRA2AADRA2BADRA2CBRD4
SCHEMBL31511298 0.76 PNMT (0.45) PNMTADRA2AADRA2BADRA2CESR1
SCHEMBL30294039 0.76 PNMT (0.45) PNMTADRA2AADRA2BADRA2CESR1
SCHEMBL16585592 0.76 PNMT (0.45) PNMTADRA2AADRA2BADRA2CESR1
SCHEMBL17018035 0.76 PNMT (0.45) PNMTADRA2AADRA2BADRA2CESR1
SCHEMBL2779601 0.75 MTNR1A (0.39) PNMTADRA2AADRA2BADRA2CBRD4

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 6 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
EP-1432701-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2004-06-30 — — EP 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
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 — — 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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E PNMT 251/4885ADRA2A 48/4885ADRA2B 46/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C PNMT 186/4885ADRA2A 30/4885ADRA2B 31/4885

“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.

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