SCHEMBL5428161

SCHEMBL5428161

O=C1N(c2ccccc2)CCC12CCCN(S(=O)(=O)c1ccc(F)cc1F)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.42
ALDH1A1 P00352 3/20 0.40
PKM P14618 2/20 0.40
MAPT P10636 1/20 0.40
DOCK5 Q9H7D0 1/20 0.40
LIPE Q05469 1/20 0.40
METAP2 P50579 3/20 0.39
TSHR P16473 3/20 0.39
CNR1 P21554 2/20 0.39
PKLR P30613 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
USP30 Q70CQ3 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL5423716 0.92 NPC1 (0.46) SPRALDH1A1PKMDOCK5LIPE
SCHEMBL5426140 0.89 NPSR1 (0.46) ALDH1A1PKMDOCK5LIPEMETAP2
SCHEMBL5425158 0.84 PKM (0.46) ALDH1A1PKMDOCK5LIPEMETAP2
SCHEMBL5427031 0.82 CYP3A4 (0.55) ALDH1A1TSHRUSP2CYP1A2CYP3A4
SCHEMBL5437244 0.81 LIPE (0.46) SPRALDH1A1MAPTDOCK5LIPE
SCHEMBL5427248 0.80 LIPE (0.58) ALDH1A1MAPTLIPETSHRUSP2
SCHEMBL5428089 0.80 CTSG (0.48) ALDH1A1LIPEMETAP2TSHRUSP2
SCHEMBL5425145 0.80 KMT2A (0.52) ALDH1A1MAPTLIPETSHRUSP2
SCHEMBL5426894 0.79 LIPE (0.55) ALDH1A1LIPETSHRUSP2CYP1A2
SCHEMBL5433821 0.78 CYP3A4 (0.46) ALDH1A1DOCK5LIPEMETAP2TSHR

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-20070275990-A1 Heterocyclic Spiro Compound ONO PHARMACEUTICAL CO., LTD. 2007-11-29 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-20070275990-A1 Heterocyclic Spiro Compound NR3C2, CBR1, CBR3 SPR 114/4885ALDH1A1 718/4885PKM 1982/4885

“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.