SCHEMBL2449607

SCHEMBL2449607

C[CH]c1c(C)[nH]n(-c2ccccc2)c1=O

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
HTT P42858 3/20 0.68
GAA P10253 4/20 0.63
ALOX15 P16050 1/20 0.63
MAPT P10636 8/20 0.61
MAPK1 P28482 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
KDM4E B2RXH2 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 2/20 0.59
RAB9A P51151 1/20 0.59
LMNA P02545 2/20 0.57
CYP2C9 P11712 1/20 0.57
TP53 P04637 1/20 0.57
XBP1 P17861 1/20 0.57
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL435880 0.86 MEN1 (0.68) MEN1KMT2AHTTGAAALOX15
SCHEMBL4324454 0.78 GAA (0.66) MEN1KMT2AHTTGAAALOX15
SCHEMBL23399618 0.77 GAA (1.00) MEN1KMT2AHTTGAAALOX15
SCHEMBL3946168 0.75 GAA (0.62) MEN1KMT2AHTTGAAALOX15
SCHEMBL2972359 0.73 MAPT (1.00) MEN1KMT2AHTTGAAMAPT
SCHEMBL9761158 0.73 ALDH1A1 (0.70) MEN1KMT2AHTTGAAALOX15
SCHEMBL23398713 0.73 GAA (0.84) MEN1KMT2AHTTGAAALOX15
SCHEMBL1261280 0.72 GAA (0.58) MEN1KMT2AHTTGAAALOX15
SCHEMBL4319540 0.72 GAA (0.69) MEN1KMT2AHTTGAAALOX15
SCHEMBL10436991 0.72 MAPT (0.57) MEN1KMT2AHTTGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364982-A1 Spiro-piperidine compounds as chemokine receptor antagonists and medicinal use thereof ONO Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
US-20100261641-A1 SPIRO-PIPERIDINE COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
US-7498323-B2 Spiro-piperidine compounds and medicinal use thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2009-03-03 US disclosed
US-20070155713-A1 Nitrogen-containing heterocyclic compounds and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-05 US disclosed
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-12 US disclosed
EP-1621540-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1619193-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-25 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 (3 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-20100261641-A1 SPIRO-PIPERIDINE COMPOUNDS AND MEDICINAL USE THEREOF CCR1, CCR7, CCR3 MEN1 2653/4885KMT2A 2880/4885HTT 1885/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 MEN1 2653/4885KMT2A 2880/4885HTT 1885/4885
US-20070155713-A1 Nitrogen-containing heterocyclic compounds and use thereof NNMT, HLA-DRB1, NNT MEN1 954/4885KMT2A 3991/4885HTT 1573/4885

“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.