SCHEMBL5090659

SCHEMBL5090659

CC(C)(C)[Si](C)(C)OCCC1OCc2cc(Cl)ccc21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.32
HTR2C P28335 6/20 0.31
HTR2B P41595 5/20 0.31
HTR2A P28223 2/20 0.31

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
SCHEMBL4706165 0.88 HTR2A (0.31) HTR2CHTR2BHTR2A
SCHEMBL5097864 0.80 HTR1D (0.42) HTR2A
SCHEMBL6808310 0.75 ESR1 (0.36) HTR2A
SCHEMBL5088665 0.75 ADRA2A (0.38) HTR2CHTR2BHTR2A
SCHEMBL31115076 0.73 MAOB (0.43)
SCHEMBL17361747 0.73 APLNR (0.32) HTR2CHTR2A
SCHEMBL5092141 0.72 HTR1D (0.34) TAAR1HTR2A
SCHEMBL6811491 0.72 HTR1D (0.34) TAAR1HTR2A
SCHEMBL5092368 0.72 HTR1D (0.36) TAAR1HTR2A
SCHEMBL3855315 0.72 ACHE (0.39) TAAR1HTR2CHTR2BHTR2A

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 4 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
EP-1458703-B1 ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS LILLY CO ELI (US) 2007-02-28 EP 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

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 TAAR1 446/4885HTR2C 98/4885HTR2B 253/4885
US-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 TAAR1 3687/4885HTR2C 1211/4885HTR2B 1463/4885

“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.