SCHEMBL2025199

SCHEMBL2025199

CN(CC=CC(=O)O)CCF

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
GABRR1 P24046 2/20 0.41
GABRR2 P28476 2/20 0.41
BLM P54132 2/20 0.41
GABRR3 A8MPY1 1/20 0.41
LMNA P02545 1/20 0.41
APEX1 P27695 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
EGLN3 Q9H6Z9 1/20 0.31

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
SCHEMBL2025198 1.00 TSHR (0.41) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL23735868 0.84
SCHEMBL2836682 0.82 TSHR (0.38) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL16351759 0.82 TSHR (0.38) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL2836684 0.82 TSHR (0.38) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL20326265 0.81 ALDH1A1 (0.31) TSHR
Hydrochloric Acid SCHEMBL3391031 0.80 GABRR1 (0.37) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL30381032 0.79 CHRM2 (0.47) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL20326378 0.79 CHRNB2 (0.30)
SCHEMBL2842621 0.77 PIK3CD (0.38) TSHRGABRR1GABRR2BLMGABRR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116206-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2013-05-09 US claimed
EP-2516403-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS Imperial Innovations Limited (GB) 2012-10-31 EP claimed
US-20130116206-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2013-05-09 US disclosed
EP-2516403-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS Imperial Innovations Limited (GB) 2012-10-31 EP disclosed
WO-2011077095-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-06-30 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-20130116206-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS ERBB2, EGFR, ERBB4 TSHR 122/4885GABRR1 2346/4885GABRR2 2485/4885

“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.