SCHEMBL19556804

SCHEMBL19556804

Cc1cc(N)c(OC(C)C)cc1C1(O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.49
POLB P06746 1/20 0.46
CCR3 P51677 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
CCR8 P51685 1/20 0.41
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL18304932 0.84 OPRL1 (0.44) OPRL1POLBCCR3ALDH1A1CYP2D6
SCHEMBL6924615 0.82 OPRL1 (0.57) OPRL1POLBCCR3ALDH1A1CYP2D6
SCHEMBL17879605 0.79 ALDH1A1 (0.33) OPRL1POLBALDH1A1CYP2D6KMT2A
SCHEMBL1266987 0.77 OPRL1 (0.58) OPRL1POLBCCR3ALDH1A1CYP2D6
SCHEMBL2883677 0.76 OPRL1 (0.66) OPRL1POLBCCR3ALDH1A1CYP2D6
SCHEMBL19358319 0.76 MEN1 (0.52) OPRL1ALDH1A1CYP2D6KMT2A
Hydrochloric Acid SCHEMBL11256637 0.75 POLB (0.66) OPRL1POLBCCR3ALDH1A1CYP2D6
SCHEMBL6967833 0.75 OPRL1 (0.56) OPRL1POLBCCR3ALDH1A1CYP2D6
SCHEMBL10916463 0.74 OPRL1 (0.70) OPRL1POLBCCR3ALDH1A1CYP2D6
SCHEMBL6649554 0.72 OPRL1 (0.56) OPRL1POLBCCR3CYP2D6CCR8

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-20180044323-A1 DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS SUZHOU ZELGEN BIOPHARMACEUTICALS CO LTD (CN) 2018-02-15 US disclosed
US-9809572-B2 Deuterated diaminopyrimidine compounds and pharmaceutical compositions comprising such compounds SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) 2017-11-07 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-20180044323-A1 DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS DCK, DPYD, BRAF OPRL1 4403/4885POLB 470/4885CCR3 1027/4885

“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.