SCHEMBL531094

SCHEMBL531094

O=C(NC1CCCCC1)c1cnc2ccccc2c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.72
CXCR4 P61073 1/20 0.60
TRPV1 Q8NER1 1/20 0.59
DPP4 P27487 1/20 0.55
DPP7 Q9UHL4 1/20 0.55
ACKR3 P25106 2/20 0.55
TNKS O95271 1/20 0.54
MGAM O43451 1/20 0.54
GRM5 P41594 1/20 0.53
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
MAOB P27338 1/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL6083945 0.87 HPGDS (0.76) HPGDSCXCR4DPP4DPP7TNKS
SCHEMBL6083955 0.87 HPGDS (0.76) HPGDSCXCR4DPP4DPP7TNKS
SCHEMBL5047611 0.84 HPGDS (0.61) HPGDSMAOB
SCHEMBL5258735 0.82 HPGDS (0.57) HPGDSCXCR4TRPV1DPP4DPP7
SCHEMBL6832879 0.82 HPGDS (0.57) HPGDSCXCR4TRPV1DPP4DPP7
SCHEMBL530208 0.81 TRPV1 (0.53) HPGDSCXCR4TRPV1ACKR3MGAM
SCHEMBL23812943 0.80 HPGDS (1.00) HPGDS
Hydrochloric Acid SCHEMBL530298 0.80 TRPV1 (0.52) HPGDSCXCR4TRPV1ACKR3MGAM
SCHEMBL6099360 0.79 HPGDS (0.59) HPGDSCXCR4DPP4DPP7TNKS
SCHEMBL23812935 0.79 HPGDS (0.64) HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HPGDS 4260/4885CXCR4 3139/4885TRPV1 3966/4885

“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.