SCHEMBL795310

SCHEMBL795310

O=[N+]([O-])c1ccc2c(c1)CCN2c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.48
ROCK1 Q13464 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.42
LMNA P02545 5/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
RAB9A P51151 2/20 0.41
TLR9 Q9NR96 1/20 0.41
POLB P06746 3/20 0.41
APEX1 P27695 1/20 0.41
CASP6 P55212 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.40
DRD4 P21917 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 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
SCHEMBL10018239 0.88 KMT2A (0.49) HTR2CROCK1SIRT2LMNAALDH1A1
SCHEMBL15712664 0.86 MEN1 (0.47) HTR2CROCK1SIRT2LMNAALDH1A1
SCHEMBL28231891 0.82 ALDH1A1 (0.45) HTR2CROCK1SIRT2LMNAALDH1A1
SCHEMBL3016231 0.81 ROCK1 (0.54) HTR2CROCK1SIRT2LMNAALDH1A1
SCHEMBL15712181 0.78 MAPT (0.45) SIRT2LMNAALDH1A1MAPTKMT2A
SCHEMBL795478 0.77 KMT2A (0.46) HTR2CROCK1SIRT2LMNAALDH1A1
SCHEMBL28257943 0.76 ROCK1 (0.47) HTR2CROCK1SIRT2LMNAALDH1A1
SCHEMBL14127565 0.76 ALDH1A1 (0.41) HTR2CROCK1SIRT2LMNAALDH1A1
SCHEMBL3037627 0.76 ROCK1 (0.47) HTR2CROCK1SIRT2LMNAALDH1A1
SCHEMBL795312 0.76 ROCK1 (0.40) ROCK1LMNAALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377961-B2 Cyclic-alkylamine derivatives as inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
US-8377961-B2 Cyclic-alkylamine derivatives as inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
US-20120071508-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 LACRAMPE JEAN FERNAND ARMAND (FR) 2012-03-22 US disclosed
US-20120071508-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 LACRAMPE JEAN FERNAND ARMAND (FR) 2012-03-22 US disclosed
US-8088795-B2 Cyclic-alkylamine derivatives as inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-03 US disclosed
US-8088795-B2 Cyclic-alkylamine derivatives as inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-03 US disclosed
US-20100168163-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2010-07-01 US disclosed
US-20100168163-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2010-07-01 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2007107545-A1 CYCLIC-ALKYLAMINEDERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-27 WO 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-20120071508-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 HTR2C 3108/4885ROCK1 1399/4885SIRT2 1602/4885
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 HTR2C 1731/4885ROCK1 712/4885SIRT2 3887/4885
US-20100168163-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 HTR2C 3108/4885ROCK1 1399/4885SIRT2 1602/4885

“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.