SCHEMBL2453960

SCHEMBL2453960

[CH2]c1c(C)nn(-c2ccccc2)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
KDM4E B2RXH2 2/20 0.54
POLB P06746 1/20 0.54
APEX1 P27695 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HTT P42858 2/20 0.51
ALOX15 P16050 1/20 0.51
LMNA P02545 2/20 0.50
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
MAPK1 P28482 2/20 0.49
P2RX7 Q99572 2/20 0.48
PDE4D Q08499 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL5612412 0.81 MAPT (0.51) SMN1; SMN2KDM4EPOLBAPEX1TDP1
SCHEMBL31755975 0.80 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EPOLBAPEX1TDP1
SCHEMBL2453964 0.79 SMN1; SMN2 (0.66) SMN1; SMN2KDM4EPOLBAPEX1TDP1
SCHEMBL13564632 0.76 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EPOLBAPEX1TDP1
SCHEMBL6966371 0.76 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EPOLBAPEX1TDP1
SCHEMBL14495384 0.76 KDM4C (0.62) SMN1; SMN2KDM4EPOLBAPEX1TDP1
SCHEMBL17787695 0.76 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EPOLBAPEX1TDP1
SCHEMBL12770947 0.76 MEN1 (0.65) SMN1; SMN2KDM4EPOLBAPEX1TDP1
SCHEMBL11330176 0.76 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EPOLBAPEX1TDP1
SCHEMBL31500060 0.74 SMN1; SMN2 (0.69) SMN1; SMN2KDM4EPOLBAPEX1TDP1

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 15 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-7498323-B2 Spiro-piperidine compounds and medicinal use thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2009-03-03 US disclosed
US-7285552-B2 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2007-10-23 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
US-7119091-B2 Triazaspiro[5.5]undecane derivatives and pharmaceutical compositions comprising thereof, as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-10 US disclosed
EP-1621540-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
US-20060019977-A1 Spiroheterocyclic derivative compounds and drugs comprising the compound as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-26 US disclosed
EP-1619193-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-25 EP disclosed
EP-1236726-B1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-12-01 EP disclosed
CN-1533390-A Pharmaceutical composition comprising triazaspiro [5.5] undecane derivative as active ingredient СҰҩƷ��ҵ��ʽ���� 2004-09-29 CN disclosed
US-20040106619-A1 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2004-06-03 US disclosed
US-20040097511-A1 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient PANASONIC CORPORATION (JP) 2004-05-20 US disclosed
EP-1378509-A1 DRUGS CONTAINING TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-07 EP disclosed
EP-1236726-A1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-09-04 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 (5 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-20040106619-A1 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient NONO, NAA15, USO1 SMN1; SMN2 4304/4885KDM4E 348/4885POLB 2192/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 SMN1; SMN2 3376/4885KDM4E 3022/4885POLB 2235/4885
US-20060019977-A1 Spiroheterocyclic derivative compounds and drugs comprising the compound as the active ingredient CCR1, ACKR3, CCR10 SMN1; SMN2 4754/4885KDM4E 3602/4885POLB 2781/4885
US-20040097511-A1 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient CXCR5, CCL11, ACKR3 SMN1; SMN2 4815/4885KDM4E 2585/4885POLB 2952/4885
US-20070155713-A1 Nitrogen-containing heterocyclic compounds and use thereof NNMT, HLA-DRB1, NNT SMN1; SMN2 1384/4885KDM4E 3967/4885POLB 3864/4885

“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.