SCHEMBL436752

SCHEMBL436752

CCOC(=O)c1noc(C)c1I

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MLYCD O95822 1/20 0.46
CACNA1F O60840 2/20 0.44
CACNA1D Q01668 2/20 0.44
CACNA1S Q13698 2/20 0.44
CACNA1C Q13936 2/20 0.44
HTT P42858 1/20 0.43
TARBP2 Q15633 3/20 0.41
TDP2 O95551 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTR2C P28335 1/20 0.39
PDE4A P27815 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
SCHEMBL12416429 0.81 ALDH1A1 (0.50) ALDH1A1MLYCDCACNA1FCACNA1DCACNA1S
SCHEMBL22609347 0.81 NPSR1 (0.45) ALDH1A1
SCHEMBL29044483 0.80 ALDH1A1 (0.39) ALDH1A1MLYCDCACNA1FCACNA1DCACNA1S
SCHEMBL23596005 0.79 TDP1 (0.47) ALDH1A1HTTKDM4E
SCHEMBL12416482 0.79 ALDH1A1 (0.48) ALDH1A1MLYCDCACNA1FCACNA1DCACNA1S
SCHEMBL841887 0.78 HTR2C (0.38) ALDH1A1MLYCDCACNA1FCACNA1DCACNA1S
SCHEMBL353667 0.77 ALDH1A1 (0.57) ALDH1A1MLYCDCACNA1FCACNA1DCACNA1S
SCHEMBL2733993 0.77 ALDH1A1 (0.57) ALDH1A1MLYCDCACNA1FCACNA1DCACNA1S
SCHEMBL1806542 0.77 MAPT (0.37) ALDH1A1MLYCDCACNA1FCACNA1DCACNA1S
SCHEMBL12926059 0.76 ALDH1A1 (0.46) ALDH1A1MLYCDCACNA1FCACNA1DCACNA1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021009068-A1 N-SUBSTITUTED-3,4-(FUSED 5-RING)-5-PHENYL-PYRROLIDINE-2-ONE COMPOUNDS AS INHIBITORS OF ISOQC AND/OR QC ENZYME SCENIC IMMUNOLOGY B.V. (NL) 2021-01-21 WO disclosed
EP-2595952-B1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-11-18 EP disclosed
EP-2595952-B1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-11-18 EP disclosed
US-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US disclosed
US-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 US disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 US disclosed
EP-2595952-A1 AGONISTS OF GPR40 Connexios Life Sciences Pvt. Ltd. (IN) 2013-05-29 EP disclosed
WO-2012011125-A1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2012-01-26 WO disclosed
WO-2012011125-A1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2012-01-26 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 (1 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-20130237571-A1 AGONISTS OF GPR40 GPR65, GPR55, GPR68 ALDH1A1 2410/4885MLYCD 2358/4885CACNA1F 1563/4885

“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.