SCHEMBL6196313

SCHEMBL6196313

Clc1ccc2c(c1)CCC(CI)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ SRD5A1 P18405 6/20 0.38
▸ AHR P35869 1/20 0.37
▸ HTR2C P28335 4/20 0.36
▸ HTR2B P41595 4/20 0.36
▸ HTR2A P28223 3/20 0.36
▸ HTR5A P47898 3/20 0.34
▸ ADRA2A P08913 2/20 0.34
▸ ADRA2B P18089 2/20 0.34
▸ ADRA2C P18825 2/20 0.34
▸ DRD4 P21917 2/20 0.34
▸ HTR1D P28221 2/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ HTR3A P46098 2/20 0.34
▸ PNMT P11086 1/20 0.34
▸ SRD5A2 P31213 2/20 0.34
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34

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
SCHEMBL6194447 0.84 TRPM5 (0.43) ESR1ESR2SRD5A1AHRHTR2C
SCHEMBL10841342 0.84 AR (0.43) ESR1ESR2SRD5A1AHRHTR2C
SCHEMBL6192806 0.82 PNMT (0.37) ESR1ESR2SRD5A1HTR2CHTR2A
SCHEMBL4763545 0.79 ITGB3 (0.40) ESR1ESR2SRD5A1AHRSRD5A2
SCHEMBL18668651 0.77 ESR1 (0.34) ESR1ESR2SRD5A1AHRHTR2C
SCHEMBL29659975 0.75 HTR2C (0.41) ESR1ESR2SRD5A1AHRHTR2C
SCHEMBL10841091 0.75 HTR2C (0.41) ESR1ESR2SRD5A1AHRHTR2C
SCHEMBL6193578 0.73 CMA1 (0.39) SRD5A1AHRHTR2CHTR2BHTR2A
SCHEMBL8857977 0.72 MTNR1A (0.46) GAAMTNR1A
SCHEMBL10536097 0.72 ESR1 (0.67) ESR1ESR2SRD5A1AHRHTR2C

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 ESR1 1500/4885ESR2 2708/4885SRD5A1 283/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C ESR1 1261/4885ESR2 1733/4885SRD5A1 230/4885

“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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