SCHEMBL1762873

SCHEMBL1762873

CCN1CC=C(CC(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
CHRM2 P08172 9/20 0.35
CHRM4 P08173 9/20 0.35
CHRM5 P08912 9/20 0.35
CHRM1 P11229 9/20 0.35
CHRM3 P20309 9/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
HTR1F P30939 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL22057850 0.85 SMN1; SMN2 (0.36) HSD11B1CHRM2CHRM4CHRM5CHRM1
SCHEMBL9103505 0.79 QDPR (0.40)
SCHEMBL7833304 0.78 ALOX15 (0.38) KDM4ELMNAALOX15HTR1FDRD2
SCHEMBL12574593 0.78 ALDH1A1 (0.47) LMNASIGMAR1DRD2DRD4
SCHEMBL13262133 0.77 KDM4E (0.40) KDM4ELMNAALOX15HTR1FDRD2
Hydrochloric Acid SCHEMBL11084396 0.77 QDPR (0.39)
SCHEMBL13804029 0.75 LMNA (0.36) HSD11B1CHRM2CHRM4CHRM5CHRM1
SCHEMBL22057852 0.75 KCNH2 (0.37) CHRM1KDM4ELMNAALOX15
SCHEMBL22057224 0.75
Hydrochloric Acid SCHEMBL1399926 0.74 LMNA (0.38) HSD11B1CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103443076-A Indol-2-one derivatives disubstituted in position 3, their preparation and their therapeutic application SANOFI AVENTIS 2013-12-11 CN disclosed
US-8202871-B2 Indol-2-one derivatives disubstituted in the 3-position, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-06-19 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
US-20100210662-A1 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-19 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-20100210662-A1 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO2, IDO1, TPH2 HSD11B1 395/4885CHRM2 795/4885CHRM4 1505/4885
US-20110118280-A1 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO2, IDO1, TPH2 HSD11B1 395/4885CHRM2 795/4885CHRM4 1505/4885

“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.