SCHEMBL6508963

SCHEMBL6508963

O=Cc1ccccc1OCc1ccc2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.56
CYSLTR2 Q9NS75 2/20 0.56
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GPBAR1 Q8TDU6 5/20 0.50
PDE10A Q9Y233 2/20 0.49
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46

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
SCHEMBL8834773 0.89 CYSLTR1 (0.51) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL6089132 0.87 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1
SCHEMBL8782794 0.85 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL15065304 0.79 PDE10A (0.46) CYSLTR1CYSLTR2ALDH1A1GPBAR1PDE10A
SCHEMBL30078106 0.79 PDE10A (0.46) CYSLTR1CYSLTR2ALDH1A1GPBAR1PDE10A
SCHEMBL25435433 0.78 GPBAR1 (0.56) CYSLTR1CYSLTR2SMN1; SMN2GPBAR1PDE10A
SCHEMBL9847314 0.78 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL8800848 0.77 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL9843295 0.77 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL1004347 0.77 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050070558-A1 6-Phenyldihydropyrrolopyrimidinedione derivatives ALMIRALL PRODESFARMA S.A. (ES) 2005-03-31 US disclosed
EP-0902007-B1 CHALCONE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2003-11-05 EP disclosed
US-6046212-A ANTIALLERGIC AGENTS KOWA CO., LTD. (JP) 2000-04-04 US disclosed
EP-0902007-A1 CHALCONE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-03-17 EP disclosed
EP-0291916-B1 DITHIOACETAL COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-12 EP disclosed
US-5081126-A QUINOLYL- AND ISOQUINOLYL-METHOXYPHENYL-DITHIOACETYL DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-14 US disclosed
US-4963576-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; 5-LIPOXYGENASE INHIBITOR FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-10-16 US disclosed
EP-0291916-A1 Dithioacetal compounds, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-23 EP 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 (1 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-20050070558-A1 6-Phenyldihydropyrrolopyrimidinedione derivatives ADORA1, ADORA2A, P2RY10 CYSLTR1 374/4885CYSLTR2 538/4885ALDH1A1 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.