SCHEMBL3780503

SCHEMBL3780503

OC(CN1CCNCC1)c1ccc2c(c1)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.51
KDM4E B2RXH2 1/20 0.43
UGCG Q16739 7/20 0.42
PTGS1 P23219 2/20 0.42
HTR1A P08908 2/20 0.42
OPRM1 P35372 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL10729794 0.79 KMT2A (0.64) HTR1ALMNAALDH1A1ATMHTR7
SCHEMBL5659968 0.78 AOC3 (0.46) AOC3KDM4EUGCGPTGS1HTR1A
SCHEMBL5659963 0.78 AOC3 (0.46) AOC3KDM4EUGCGPTGS1HTR1A
SCHEMBL10727395 0.77 IGF1R (0.65) AOC3KDM4EHTR1AALDH1A1HTR7
SCHEMBL10728130 0.77 HTR1A (0.49) AOC3KDM4EHTR1ALMNAALDH1A1
SCHEMBL5751121 0.77 AOC3 (0.45) AOC3KDM4EUGCGPTGS1HTR1A
SCHEMBL5751126 0.77 AOC3 (0.45) AOC3KDM4EUGCGPTGS1HTR1A
SCHEMBL10733348 0.77 ADRB2 (0.58) AOC3KDM4EHTR1ALMNAMAPK1
SCHEMBL10728375 0.77 IGF1R (0.62) AOC3KDM4EHTR1ALMNAALDH1A1
SCHEMBL10732114 0.76 ADRB2 (0.60) AOC3KDM4EALDH1A1

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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B AOC3 4335/4885KDM4E 1219/4885UGCG 3122/4885

“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.