SCHEMBL6194447

SCHEMBL6194447

OCC1CCc2cc(Cl)ccc2N1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPM5 Q9NZQ8 13/20 0.43
▸ TRPM4 Q8TD43 8/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ HTR2C P28335 2/20 0.40
▸ HTR2B P41595 2/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ SRD5A1 P18405 2/20 0.38
▸ AHR P35869 1/20 0.37
▸ MTNR1A P48039 1/20 0.36

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
SCHEMBL6196313 0.84 ESR1 (0.39) ESR1ESR2HTR2CHTR2BHTR2A
SCHEMBL10841342 0.84 AR (0.43) ESR1ESR2HTR2CHTR2BHTR2A
SCHEMBL3258564 0.83 TRPM5 (0.51) TRPM5TRPM4
SCHEMBL6192228 0.82 PNMT (0.50) ESR1ESR2MTNR1A
SCHEMBL4763545 0.82 ITGB3 (0.40) ESR1ESR2SRD5A1AHRMTNR1A
SCHEMBL8238979 0.81 TRPM5 (0.43) TRPM5ESR1ESR2HTR2BMTNR1A
SCHEMBL15031156 0.78 PRKD3 (0.41) ESR1ESR2HTR2BMTNR1A
SCHEMBL6754201 0.77 AR (0.38) ESR1ESR2SRD5A1
SCHEMBL14822782 0.77 MTNR1A (0.36) ESR1ESR2HTR2BMTNR1A
SCHEMBL6754202 0.77 AR (0.38) ESR1ESR2SRD5A1

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 TRPM5 239/4885TRPM4 267/4885ESR1 1500/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C TRPM5 716/4885TRPM4 832/4885ESR1 1261/4885

“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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