SCHEMBL5228413

SCHEMBL5228413

CCCC1CCCCN1Cc1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.57
SPHK2 Q9NRA0 4/20 0.50
SPHK1 Q9NYA1 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
OPRD1 P41143 1/20 0.45
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 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
SCHEMBL7651919 0.88 MAPK1 (0.60) OPRK1SPHK2SPHK1MEN1KMT2A
SCHEMBL18751633 0.85 OPRD1 (0.56) MEN1KMT2AMAPK1OPRD1
SCHEMBL19628590 0.85 OPRD1 (0.56) MEN1KMT2AMAPK1OPRD1
SCHEMBL11990438 0.85 OPRD1 (0.56) MEN1KMT2AMAPK1OPRD1
SCHEMBL12642719 0.85 OPRK1 (0.54) OPRK1SPHK2SPHK1MEN1KMT2A
SCHEMBL11938900 0.82 SIGMAR1 (0.53) OPRK1SPHK2SPHK1MAPK1ALDH1A1
SCHEMBL11938960 0.79 MAPK1 (0.51) SPHK2SPHK1MEN1KMT2AMAPK1
SCHEMBL12642706 0.77 HDAC8 (0.67) OPRK1SPHK2SPHK1MAPK1ALDH1A1
SCHEMBL11990424 0.77 OPRD1 (0.54) SPHK2SPHK1MEN1KMT2AOPRD1
SCHEMBL11938584 0.77 MAPK1 (0.45) SPHK2SPHK1MAPK1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 EP disclosed
EP-1254895-B1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2007-05-23 EP disclosed
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-04-20 US disclosed
US-6906072-B1 Piperazine compound and pharmaceutical composition containing the compound EISAI CO., LTD. (JP) 2005-06-14 US disclosed
US-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI CO., LTD. 2004-11-04 US disclosed
EP-1254895-A1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 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-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1D, CACNA1B, CACNA1E OPRK1 68/4885SPHK2 2328/4885SPHK1 3033/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D OPRK1 81/4885SPHK2 2389/4885SPHK1 3060/4885

“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.