SCHEMBL5090703

SCHEMBL5090703

CS(=O)(=O)OCCC1OCCc2cc(C#N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.41
HTR1A P08908 5/20 0.41
HTR1B P28222 3/20 0.41
SLC6A4 P31645 2/20 0.41
AKR1C3 P42330 1/20 0.36
PPARA Q07869 4/20 0.35
PPARD Q03181 3/20 0.35
LRRK2 Q5S007 3/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
DRD2 P14416 6/20 0.34
HTR2A P28223 5/20 0.34
DRD4 P21917 2/20 0.34
THRB P10828 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
PPARG P37231 1/20 0.33
DRD3 P35462 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
SCHEMBL6812993 0.82 HTR1D (0.36) HTR1DHTR1AHTR1BCA1CA2
SCHEMBL5088651 0.82 HTR1D (0.36) HTR1DHTR1AHTR1BCA1CA2
SCHEMBL6811873 0.82 HTR6 (0.39) HTR1DHTR1AHTR1BCA1CA2
SCHEMBL5088740 0.80 HTR1D (0.53) HTR1DHTR1AHTR1BSLC6A4DRD2
SCHEMBL6630124 0.80 HTR1A (0.38) HTR1DHTR1AHTR1BSLC6A4AKR1C3
SCHEMBL6808402 0.80 HTR1D (0.53) HTR1DHTR1AHTR1BSLC6A4DRD2
SCHEMBL5138899 0.79 DRD2 (0.47) HTR1DHTR1ACA1CA2CA9
SCHEMBL6808621 0.79 HTR2C (0.39) HTR1DHTR1AHTR1BCA1CA2
SCHEMBL6812183 0.79 HTT (0.38) HTR1DHTR1AHTR1BCA1CA2
SCHEMBL5088624 0.78 HTR1D (0.46) HTR1DHTR1AHTR1BSLC6A4PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335660-B2 Isochroman compounds for treatment of CNS disorders ELI LILLY AND COMPANY (US) 2008-02-26 US disclosed
US-20050014750-A1 Isochroman compounds for treatment of cns disorders ELI LILLY AND COMPANY 2005-01-20 US disclosed
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 US disclosed
EP-1399156-A2 ALKYLIDENE PIRAZOLIDINEDIONE DERIVATIVES AND THEIR USE FOR TREATING DIABETES AND OBESITY Applied Research Systems ARS Holding N.V. (AN) 2004-03-24 EP disclosed
WO-2002102359-A2 ALKYLIDENE PYRAZOLIDINEDIONE DERIVATIVES AND USE FOR TREATING DIABETES AND OBESITY APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-12-27 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-20050014750-A1 Isochroman compounds for treatment of cns disorders INA, CNR2, CNR1 HTR1D 201/4885HTR1A 192/4885HTR1B 185/4885
US-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 HTR1D 124/4885HTR1A 264/4885HTR1B 373/4885

“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.