SCHEMBL5088665

SCHEMBL5088665

OCCC1OCc2cc(Cl)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
TRPM5 Q9NZQ8 6/20 0.37
TRPM4 Q8TD43 4/20 0.37
MDM2 Q00987 2/20 0.36
MAP3K14 Q99558 1/20 0.34
HTR2C P28335 4/20 0.33
HTR2A P28223 3/20 0.33
HTR2B P41595 3/20 0.33
PRMT5 O14744 4/20 0.32
WDR77 Q9BQA1 4/20 0.32
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4704205 0.87 TRPM5 (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL4702666 0.80 ADRA2A (0.37) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL5092292 0.78 FFAR1 (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL3855315 0.78 ACHE (0.39) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6808079 0.77 SLC6A4 (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL5090626 0.76 HTR1D (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL4706203 0.75 ADRA2A (0.33) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL5090659 0.75 TAAR1 (0.32) HTR2CHTR2AHTR2B
SCHEMBL5097822 0.74 MAP3K14 (0.42) ADRA2AADRA2BADRA2CTRPM5TRPM4
SCHEMBL10696858 0.70 HTR2C (0.44) ADRA2AADRA2BADRA2CMDM2MAP3K14

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
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
EP-1458703-A1 ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS ELI LILLY AND COMPANY (US) 2004-09-22 EP disclosed
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 US disclosed
WO-2003053948-A1 ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS ELI LILLY AND COMPANY (US) 2003-07-03 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 ADRA2A 716/4885ADRA2B 1425/4885ADRA2C 754/4885
US-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 ADRA2A 492/4885ADRA2B 475/4885ADRA2C 215/4885

“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.