SCHEMBL17150950

SCHEMBL17150950

CC1COC(c2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
CHRM2 P08172 7/20 0.45
CHRM3 P20309 6/20 0.45
CHRM4 P08173 5/20 0.45
CHRM1 P11229 5/20 0.45
ADRA2A P08913 3/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADRA1A P35348 2/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HTR1A P08908 1/20 0.38
CHRM5 P08912 5/20 0.37

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
Propylene Oxide SCHEMBL5693327 0.80 TSHR (0.81) TSHRCHRM2CHRM3CHRM4CHRM1
SCHEMBL8768251 0.80 TSHR (0.48) TSHRCHRM2CHRM3CHRM4CHRM1
SCHEMBL18387696 0.80 TSHR (0.48) TSHRCHRM2CHRM3CHRM4CHRM1
SCHEMBL17172100 0.80 CHRNA7 (0.41) TSHRMEN1KMT2ASLC6A2HTR2B
SCHEMBL8768288 0.80 TSHR (0.48) TSHRCHRM2CHRM3CHRM4CHRM1
SCHEMBL21363715 0.80 KDM1A (0.39) TSHRSLC6A2HTR2BSLC6A3
SCHEMBL21363517 0.80 CHRNA7 (0.41) TSHRMEN1KMT2ASLC6A2HTR2B
SCHEMBL21363398 0.80 CHRNA7 (0.41) TSHRMEN1KMT2ASLC6A2HTR2B
SCHEMBL21393372 0.80 KDM1A (0.39) TSHRSLC6A2HTR2BSLC6A3
SCHEMBL1396587 0.80 TSHR (0.48) TSHRCHRM2CHRM3CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2917194-B1 NOVEL BENZYL SULFONAMIDE COMPOUNDS USEFUL AS MOGAT-2 INHIBITORS LILLY CO ELI (US) 2017-09-27 EP disclosed
US-9416138-B2 Benzyl sulfonamide compounds useful as MoGAT-2 inhibitors ELI LILLY AND COMPANY (US) 2016-08-16 US disclosed
US-20150284404-A1 NOVEL BENZYL SULFONAMIDE COMPOUNDS USEFUL AS MOGAT-2 INHIBITORS ELI LILLY AND COMPANY 2015-10-08 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 (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-20150284404-A1 NOVEL BENZYL SULFONAMIDE COMPOUNDS USEFUL AS MOGAT-2 INHIBITORS MOGAT2, SOAT1, SOAT2 TSHR 2001/4885CHRM2 3908/4885CHRM3 4565/4885

“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.