SCHEMBL613641

SCHEMBL613641

CCC(C(=O)O)N1CCN(CC)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
HSD11B1 P28845 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRM1 P11229 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3102765 0.89
SCHEMBL408919 0.85 SLC6A9 (0.44) KDM4ESLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL995424 0.85 KDM4E (0.39) KDM4EHSD11B1SMN1; SMN2CHRM1ALDH1A1
SCHEMBL995423 0.85 KDM4E (0.39) KDM4EHSD11B1SMN1; SMN2CHRM1ALDH1A1
SCHEMBL12156548 0.85 SLC6A9 (0.44) KDM4ESLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL7593926 0.85 SLC6A9 (0.44) KDM4ESLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL12156561 0.85 SLC6A9 (0.44) KDM4ESLC6A2SLC6A4SLC6A3ALDH1A1
Hydrochloric Acid SCHEMBL10276162 0.83 KDM4E (0.38) KDM4EHSD11B1SMN1; SMN2CHRM1ALDH1A1
Hydrochloric Acid SCHEMBL29697028 0.83 SLC6A9 (0.43) KDM4ESLC6A2SLC6A4SLC6A3ALDH1A1
Hydrochloric Acid SCHEMBL10276157 0.83 KDM4E (0.38) KDM4EHSD11B1SMN1; SMN2CHRM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040996-A1 3-BENZOFURANYL-INDOL-2-ONE DERIVATIVES SUBSTITUTED AT THE 3 POSITION, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
US-20110118280-A1 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-05-19 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 (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-20110118280-A1 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO2, IDO1, TPH2 KDM4E 2168/4885HSD11B1 395/4885SMN1; SMN2 1820/4885
US-20120040996-A1 3-BENZOFURANYL-INDOL-2-ONE DERIVATIVES SUBSTITUTED AT THE 3 POSITION, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF TPH1, IDO1, TPH2 KDM4E 2070/4885HSD11B1 1245/4885SMN1; SMN2 868/4885

“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.