SCHEMBL2087404

SCHEMBL2087404

C1=Cc2cc3c(cc2OC1)OCO3

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.40
CYP2B6 P20813 1/20 0.35
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL22915707 0.86 STS (0.44) STSCYP2B6CA1CA9
SCHEMBL8404584 0.74 STS (0.40) STSCYP2B6CA1CA9
SCHEMBL8930679 0.72 ABCG2 (0.53) CYP3A4ALDH1A1HSD17B10MEN1MAPT
SCHEMBL3033164 0.71 STS (0.45) STSCYP2B6CA1CA9ABCG2
SCHEMBL30726715 0.71 STS (0.41) STSCYP2B6CA1CA9
SCHEMBL30713667 0.71 STS (0.38) STSCYP2B6CA1CA9
SCHEMBL30536492 0.71 STS (0.45) STSCYP2B6CA1CA9ABCG2
SCHEMBL7091046 0.70 STS (0.35) STSCYP2B6
SCHEMBL9150514 0.70 KDM4E (0.42) CYP3A4ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL7784298 0.69 STS (0.37) STSCYP2B6CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250074925-A1 RARE EARTH COMPLEX SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2025-03-06 US disclosed
EP-4365180-A1 RARE EARTH COMPLEX Tosoh Corporation (JP) 2024-05-08 EP disclosed
WO-2023282236-A1 RARE EARTH COMPLEX 東ソー株式会社 2023-01-12 WO disclosed
US-20110052612-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 US disclosed
EP-1889622-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-02-20 EP 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-20070232586-A1 Hydrazino-Substituted Heterocyclic Nitrile Compounds and Use Thereof OHMOTO KAZUYUKI 2007-10-04 US disclosed
US-20070197510-A1 Nitriles and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
US-20070155713-A1 Nitrogen-containing heterocyclic compounds and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-05 US disclosed
EP-1739081-A1 HYDRAZINO-SUBSTITUTED HETEROCYCLIC NITRILE COMPOUNDS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-03 EP disclosed
EP-1724264-A1 NITRILES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-22 EP 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-1553098-A1 SPIROHETEROCYCLIC DERIVATIVE COMPOUNDS AND DRUGS COMPRISING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 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
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 (8 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 STS 1124/4885CYP2B6 1455/4885CA1 3786/4885
US-20070197510-A1 Nitriles and medicinal compositions containing the same as the active ingredient CTRL, NOS1, CPN1 STS 308/4885CYP2B6 390/4885CA1 51/4885
US-20070232586-A1 Hydrazino-Substituted Heterocyclic Nitrile Compounds and Use Thereof CTRL, PRSS1, CTSZ STS 95/4885CYP2B6 615/4885CA1 15/4885
US-20060019977-A1 Spiroheterocyclic derivative compounds and drugs comprising the compound as the active ingredient CCR1, ACKR3, CCR10 STS 383/4885CYP2B6 913/4885CA1 2223/4885
US-20040097511-A1 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient CXCR5, CCL11, ACKR3 STS 4738/4885CYP2B6 1681/4885CA1 3120/4885
US-20110052612-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF CXCR3, CFTR, CXCR1 STS 133/4885CYP2B6 867/4885CA1 1243/4885
US-20070155713-A1 Nitrogen-containing heterocyclic compounds and use thereof NNMT, HLA-DRB1, NNT STS 2573/4885CYP2B6 1547/4885CA1 1278/4885
US-20250074925-A1 RARE EARTH COMPLEX L1CAM, CHRM1, NPM1 STS 2032/4885CYP2B6 2160/4885CA1 201/4885

“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.