SCHEMBL4876804

SCHEMBL4876804

COc1cccc(C2(C#N)CCN(c3ccccc3O)CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.66
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SOAT1 P35610 1/20 0.40
GFER P55789 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4870906 0.87 KMT2A (0.67) KMT2ANPC1RAB9ASOAT1TSHR
SCHEMBL4880432 0.83 KMT2A (0.62) KMT2ANPC1RAB9ASOAT1TSHR
SCHEMBL4876711 0.83 KMT2A (0.72) KMT2AOPRM1OPRD1OPRK1OPRL1
SCHEMBL4872045 0.81 KMT2A (0.58) KMT2ASOAT1PDE4B
SCHEMBL11814914 0.80 KMT2A (1.00) KMT2AOPRM1
SCHEMBL4881014 0.80 KMT2A (0.57) KMT2AOPRM1SOAT1
SCHEMBL5480775 0.80 KMT2A (0.57) KMT2AOPRM1NPC1RAB9AALDH1A1
SCHEMBL1007128 0.79 KMT2A (0.78) KMT2AOPRM1OPRD1OPRK1OPRL1
SCHEMBL5477018 0.79 GAA (0.50) KMT2ANPC1RAB9AALDH1A1SOAT1
SCHEMBL5475695 0.79 KMT2A (0.62) KMT2ANPC1RAB9AALDH1A1SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 EP 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 KMT2A 1132/4885OPRM1 1290/4885OPRD1 628/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 KMT2A 1301/4885OPRM1 211/4885OPRD1 117/4885

“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.