SCHEMBL5423716

SCHEMBL5423716

O=C1N(c2ccccc2)CCC12CCCN(S(=O)(=O)c1cc(F)ccc1F)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PKM P14618 1/20 0.44
POLB P06746 1/20 0.43
DOCK5 Q9H7D0 1/20 0.42
LIPE Q05469 1/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
METAP2 P50579 3/20 0.39
SPR P35270 1/20 0.39
ALOX15 P16050 1/20 0.38
USP30 Q70CQ3 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL5428161 0.92 SPR (0.42) NPC1RAB9APKMDOCK5LIPE
SCHEMBL5426140 0.89 NPSR1 (0.46) PKMPOLBDOCK5LIPETSHR
SCHEMBL5425158 0.84 PKM (0.46) PKMPOLBDOCK5LIPETSHR
SCHEMBL5427031 0.82 CYP3A4 (0.55) TSHRALDH1A1USP2CYP1A2CYP3A4
SCHEMBL5437244 0.81 LIPE (0.46) NPC1RAB9ADOCK5LIPETSHR
SCHEMBL5433821 0.81 CYP3A4 (0.46) DOCK5LIPETSHRALDH1A1USP2
SCHEMBL5427248 0.80 LIPE (0.58) LIPETSHRALDH1A1USP2CYP1A2
SCHEMBL5428089 0.80 CTSG (0.48) LIPETSHRALDH1A1USP2CYP1A2
SCHEMBL5425145 0.80 KMT2A (0.52) LIPETSHRALDH1A1USP2CYP1A2
SCHEMBL5426894 0.79 LIPE (0.55) LIPETSHRALDH1A1USP2CYP1A2

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 2 patents. 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
EP-1683797-A1 HETEROCYCLIC SPIRO COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-26 EP 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 NPC1 539/4885RAB9A 1232/4885PKM 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.