SCHEMBL4881569

SCHEMBL4881569

COc1cccc([C@]2(C#N)CC[C@@H](NCc3ccc(-c4ccccc4)cc3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
NAAA Q02083 4/20 0.48
FAAH O00519 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 3/20 0.48
RAB9A P51151 1/20 0.48
MGLL Q99685 1/20 0.47
OPRM1 P35372 2/20 0.45
OPRL1 P41146 2/20 0.45
PDE4B Q07343 1/20 0.41
CD274 Q9NZQ7 3/20 0.41
HTR5A P47898 1/20 0.40
KDM1A O60341 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 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
SCHEMBL4878765 1.00 KMT2A (0.51) KMT2ANAAAFAAHALDH1A1MEN1
SCHEMBL4878759 1.00 KMT2A (0.51) KMT2ANAAAFAAHALDH1A1MEN1
SCHEMBL5465166 0.94 ALDH1A1 (0.55) KMT2AALDH1A1MEN1OPRM1OPRL1
SCHEMBL5466092 0.94 ALDH1A1 (0.55) KMT2AALDH1A1MEN1OPRM1OPRL1
SCHEMBL5465162 0.94 ALDH1A1 (0.55) KMT2AALDH1A1MEN1OPRM1OPRL1
SCHEMBL5473342 0.91 KMT2A (0.55) KMT2ANAAAFAAHALDH1A1MEN1
SCHEMBL5473768 0.91 KMT2A (0.55) KMT2ANAAAFAAHALDH1A1MEN1
SCHEMBL5473335 0.91 KMT2A (0.55) KMT2ANAAAFAAHALDH1A1MEN1
SCHEMBL5465942 0.90 ALDH1A1 (0.57) KMT2AALDH1A1MEN1OPRM1OPRL1
SCHEMBL5465241 0.89 KMT2A (0.53) KMT2ANAAAFAAHALDH1A1MEN1

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 1132/4885NAAA 1621/4885FAAH 3519/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 KMT2A 1301/4885NAAA 1174/4885FAAH 2820/4885

“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.