SCHEMBL2567254

SCHEMBL2567254

CCOC(=O)CCCC1(C(=O)OCC)CCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 3/20 0.42
PKM P14618 2/20 0.42
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOTUM Q6P988 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
SCHEMBL13039200 0.86 MEN1 (0.41) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL13888874 0.85 MEN1 (0.51) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL2567226 0.84 MEN1 (0.42) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL17158265 0.81 KMT2A (0.48) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL17158194 0.80 KMT2A (0.48) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL2572031 0.80 KMT2A (0.45) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL5971181 0.77 KMT2A (0.45) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL13888780 0.76 KMT2A (0.44) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL4101227 0.74 ALDH1A1 (0.46) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL8193080 0.74 ALDH1A1 (0.46) MEN1KMT2AALDH1A1PKMGAA

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
EP-2078022-B1 SPIRO BENZAZEPINES USED AS VASOPRESSIN ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-11-09 EP disclosed
EP-2078022-B1 SPIRO BENZAZEPINES USED AS VASOPRESSIN ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-11-09 EP disclosed
US-7825110-B2 Substituted spiroheterocycles JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US disclosed
US-7825111-B2 Substituted spiroheterocycles JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US disclosed
US-7825111-B2 Substituted spiroheterocycles JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US disclosed
US-7825110-B2 Substituted spiroheterocycles JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US disclosed
US-20090105220-A1 PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES DENG XIAOHU 2009-04-23 US disclosed
US-20090105220-A1 PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES DENG XIAOHU 2009-04-23 US disclosed
US-20090105220-A1 PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES DENG XIAOHU 2009-04-23 US disclosed
WO-2008036759-A1 SPIRO BENZAZEPINES AS VASOPRESSIN ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-27 WO disclosed
WO-2008036755-A1 SPIRO BENZAZEPINES USED AS VASOPRESSIN ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-27 WO disclosed
US-20080076753-A1 SUBSTITUTED SPIROHETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-27 US disclosed
US-20080076753-A1 SUBSTITUTED SPIROHETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-27 US disclosed
US-20080076754-A1 SUBSTITUTED SPIROHETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-27 US disclosed
US-20080076754-A1 SUBSTITUTED SPIROHETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-27 US disclosed
EP-1633721-A1 PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 EP disclosed
WO-2005000819-A1 PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 WO disclosed
US-20040259857-A1 Process for the preparation of nonpeptide substituted spirobenzoazepine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2004-12-23 US disclosed
US-20040259857-A1 Process for the preparation of nonpeptide substituted spirobenzoazepine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2004-12-23 US disclosed
US-20040259857-A1 Process for the preparation of nonpeptide substituted spirobenzoazepine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2004-12-23 US 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 (4 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-20090105220-A1 PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES REN, AVPR1B, WNK1 MEN1 2498/4885KMT2A 2724/4885ALDH1A1 1177/4885
US-20080076754-A1 SUBSTITUTED SPIROHETEROCYCLES AVPR2, AVPR1B, AVPR1A MEN1 3209/4885KMT2A 4670/4885ALDH1A1 2156/4885
US-20040259857-A1 Process for the preparation of nonpeptide substituted spirobenzoazepine derivatives REN, AVPR1B, WNK1 MEN1 2498/4885KMT2A 2724/4885ALDH1A1 1177/4885
US-20080076753-A1 SUBSTITUTED SPIROHETEROCYCLES AVPR2, AVPR1B, AVPR1A MEN1 3251/4885KMT2A 4641/4885ALDH1A1 2174/4885

“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.