SCHEMBL20153915

SCHEMBL20153915

COc1ccc(OC)c(CCNC(C)(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
IDO1 P14902 2/20 0.54
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
HTR2A P28223 2/20 0.53
HTR2C P28335 1/20 0.53
AOC3 Q16853 1/20 0.53
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL20791914 0.84 ADRA1A (0.49) ADRA1ATAAR1IDO1MTNR1AMTNR1B
SCHEMBL14271357 0.83 IDO1 (0.57) ADRA1ATAAR1IDO1HTR2AHTR2C
SCHEMBL681333 0.81 ADRA1A (0.64) ADRA1ATAAR1IDO1MTNR1AMTNR1B
SCHEMBL5267466 0.80 ADRA1A (0.62) ADRA1ATAAR1IDO1MTNR1AMTNR1B
SCHEMBL13900365 0.78 MTNR1A (0.57) TAAR1IDO1MTNR1AMTNR1BAOC3
SCHEMBL15217977 0.78 ADRA1A (0.64) ADRA1ATAAR1IDO1MTNR1AMTNR1B
SCHEMBL6506680 0.76 ADRA1A (0.57) ADRA1ATAAR1IDO1MTNR1AMTNR1B
SCHEMBL29814877 0.76 MTNR1A (0.59) ADRA1ATAAR1MTNR1AMTNR1BHSD17B10
SCHEMBL5154843 0.75 ADRA1A (0.70) ADRA1ATAAR1IDO1MTNR1AMTNR1B
SCHEMBL27002039 0.75 MTNR1A (0.66) ADRA1ATAAR1MTNR1AMTNR1BHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464925-B2 Methods to induce targeted protein degradation through bifunctional molecules DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-11-05 US disclosed
US-20180134684-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-17 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-10464925-B2 Methods to induce targeted protein degradation through bifunctional molecules CRBN, MDM2, MYCBP ADRA1A 4618/4885TAAR1 4375/4885IDO1 3745/4885
US-20180134684-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES CRBN, MDM2, MYCBP ADRA1A 4618/4885TAAR1 4375/4885IDO1 3745/4885

“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.