SCHEMBL530208

SCHEMBL530208

O=C(CNC1CCCCC1)c1cnc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.53
MGAM O43451 1/20 0.50
CFTR P13569 1/20 0.50
HPGDS O60760 3/20 0.49
PREP P48147 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
KDM2B Q8NHM5 1/20 0.46
ACKR3 P25106 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
METTL3 Q86U44 1/20 0.45
CXCR4 P61073 1/20 0.44

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
Hydrochloric Acid SCHEMBL530298 0.99 TRPV1 (0.52) TRPV1MGAMCFTRHPGDSPREP
SCHEMBL531094 0.81 HPGDS (0.72) TRPV1MGAMHPGDSACKR3NPC1
SCHEMBL10154259 0.81 MGAM (0.54) TRPV1MGAMCFTRHPGDSCHRNB2
SCHEMBL5363975 0.77 MGAM (0.68) MGAMCFTRHPGDSALDH1A1HPGD
SCHEMBL6890171 0.76 MEN1 (0.62) ALDH1A1HPGDMEN1NPC1RAB9A
SCHEMBL15194828 0.76 TRPV1 (0.49) TRPV1MGAMHPGDSCHRNB2CHRNA7
SCHEMBL5160571 0.76 NPC1 (0.58) TRPV1MGAMCFTRHPGDSPREP
SCHEMBL10154201 0.76 KDM2B (0.63) TRPV1MGAMCFTRHPGDSPREP
SCHEMBL530194 0.76 TRPV1 (0.51) TRPV1MGAMHPGDSCHRNB2CHRNA7
SCHEMBL7100632 0.76 MGAM (0.61) MGAMCFTRHPGDSKDM2BALDH1A1

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
EP-2597955-B1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2016-01-20 EP disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US disclosed
EP-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 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-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NADK, NEK1 TRPV1 3966/4885MGAM 3330/4885CFTR 4133/4885

“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.