SCHEMBL17879559

SCHEMBL17879559

[2H]C1([2H])CC2(CC([2H])([2H])N1Cc1ccccc1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.50
TMEM97 Q5BJF2 2/20 0.50
CYP3A4 P08684 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 3/20 0.44
OPRL1 P41146 1/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL11686136 0.84 SIGMAR1 (0.68) SIGMAR1TMEM97CYP3A4HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL11689691 0.83 SIGMAR1 (0.66) SIGMAR1TMEM97CYP3A4HSD17B10ALDH1A1
SCHEMBL10120597 0.81 SIGMAR1 (0.56) SIGMAR1TMEM97CYP3A4HSD17B10ALDH1A1
SCHEMBL24358373 0.79 SIGMAR1 (0.61) SIGMAR1TMEM97CYP3A4HSD17B10ALDH1A1
SCHEMBL4003175 0.77 SIGMAR1 (0.52) SIGMAR1CYP3A4HSD17B10ALDH1A1OPRL1
SCHEMBL13131259 0.76 CYP2D6 (0.53) SIGMAR1TMEM97CYP3A4ALDH1A1TSHR
SCHEMBL11934569 0.76 SIGMAR1 (0.56) SIGMAR1TMEM97ALDH1A1TSHRTDP1
SCHEMBL15112286 0.74 HTR1D (0.54) SIGMAR1TMEM97ALDH1A1TSHRHRH3
SCHEMBL3837603 0.74 SIGMAR1 (0.56) SIGMAR1TMEM97CYP3A4HSD17B10ALDH1A1
SCHEMBL16084375 0.72 SIGMAR1 (0.53) SIGMAR1TMEM97CYP3A4HSD17B10ALDH1A1

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
WO-2025111408-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY AND HUNTINGTON'S DISEASE BIOGEN MA INC. (US) 2025-05-30 WO disclosed
US-20160185753-A1 DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) 2016-06-30 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-20160185753-A1 DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS DCK, DPYD, PDCD1 SIGMAR1 4781/4885TMEM97 4378/4885CYP3A4 3566/4885

“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.