SCHEMBL7054586

SCHEMBL7054586

O=C(O)C1CCN(C2CCCC[N]2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
CYP2C19 P33261 1/20 0.38
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 2/20 0.34
NEK2 P51955 1/20 0.34
OGFRL1 Q5TC84 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 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
SCHEMBL7052120 0.78 FFAR4 (0.34) OGFRL1GABRA1GABRA5GABRB2GABRA4
SCHEMBL12470716 0.77 TSHR (0.36) TSHR
SCHEMBL157427 0.76 CYP2D6 (0.33) LMNA
SCHEMBL1428236 0.76
SCHEMBL286072 0.74 CYP2D6 (0.32) LMNA
SCHEMBL3658217 0.74 CYP2D6 (0.32) LMNA
SCHEMBL2229452 0.74 CYP2D6 (0.32) LMNA
SCHEMBL2569149 0.74 CYP2D6 (0.32) LMNA
SCHEMBL4712511 0.74 CYP2D6 (0.32) LMNA
SCHEMBL10891279 0.74 CYP2D6 (0.32) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171361-A1 Pyrrolopyrimidinone derivatives, process of preparation and use SK CHEMICALS CO., LTD. (KR) 2003-09-11 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 (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-20030171361-A1 Pyrrolopyrimidinone derivatives, process of preparation and use CYP2C19, DHPS, SDHA KDM4E 1887/4885LMNA 2753/4885CYP2C19 1/4885

“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.