SCHEMBL3729620

SCHEMBL3729620

CCN1CCN(C(C)C(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HSD11B1 P28845 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MC4R P32245 1/20 0.37
CHRM1 P11229 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL12605195 1.00 KDM4E (0.53) KDM4EALDH1A1LMNAHSD11B1SMN1; SMN2
Propane SCHEMBL11849460 0.87 KDM4E (0.39) KDM4EALDH1A1CHRM1TP53
SCHEMBL27781490 0.85 KDM4E (0.50) KDM4EALDH1A1LMNAHSD11B1SMN1; SMN2
SCHEMBL14100030 0.84 SLC6A9 (0.40) KDM4EALDH1A1TP53
SCHEMBL13223389 0.84 SLC6A9 (0.40) KDM4EALDH1A1TP53
SCHEMBL24220960 0.84 SLC6A9 (0.40) KDM4EALDH1A1TP53
SCHEMBL3967181 0.84 SLC6A9 (0.40) KDM4EALDH1A1TP53
SCHEMBL29299508 0.84 SLC6A9 (0.40) KDM4EALDH1A1TP53
SCHEMBL7744888 0.84 SLC6A9 (0.40) KDM4EALDH1A1TP53
SCHEMBL1133814 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9889130-B2 Substituted 3-benzofuranyl-indol-2-one-3-acetamididopiperazine derivatives, preparation thereof, and therapeutic use thereof SANOFI (FR) 2018-02-13 US disclosed
US-20170119761-A1 SUBSTITUTED 3-BENZOFURANYL-INDOL-2-ONE-3-ACETAMIDIDOPIPERAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2017-05-04 US disclosed
EP-2396319-B1 SUBSTITUTED 3-BENZOFURANYL-INDOL-2-ONE-3-ACETAMIDOPIPERAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-07-17 EP disclosed
US-20110312972-A1 SUBSTITUTED 3-BENZOFURANYL-INDOL-2-ONE-3-ACETAMIDIDOPIPERAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-22 US disclosed
EP-2396319-A1 SUBSTITUTED 3-BENZOFURANYL-INDOL-2-ONE-3-ACETAMIDOPIPERAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-21 EP disclosed
WO-2010092288-A1 SUBSTITUTED 3-BENZOFURANYL-INDOL-2-ONE-3-ACETAMIDOPIPERAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-19 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 (2 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-20170119761-A1 SUBSTITUTED 3-BENZOFURANYL-INDOL-2-ONE-3-ACETAMIDIDOPIPERAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF IDO1, TPH1, QDPR KDM4E 3111/4885ALDH1A1 105/4885LMNA 3297/4885
US-20110312972-A1 SUBSTITUTED 3-BENZOFURANYL-INDOL-2-ONE-3-ACETAMIDIDOPIPERAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF IDO1, TPH1, QDPR KDM4E 3111/4885ALDH1A1 105/4885LMNA 3297/4885

“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.