SCHEMBL530519

SCHEMBL530519

CCN(CC)C(NC1CCCCC1)C(=O)c1cnc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.46
HPGDS O60760 2/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
CCR1 P32246 4/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
HSD17B10 Q99714 2/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
MGAM O43451 1/20 0.42
METTL3 Q86U44 1/20 0.42

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
SCHEMBL15194828 0.83 TRPV1 (0.49) TRPV1HPGDSRAB9ANPC1SMN1; SMN2
SCHEMBL530515 0.75 RAB9A (0.47) TRPV1HPGDSRAB9ANPC1SMN1; SMN2
SCHEMBL531094 0.74 HPGDS (0.72) TRPV1HPGDSNPC1KMT2AMGAM
SCHEMBL530208 0.73 TRPV1 (0.53) TRPV1HPGDSRAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL530298 0.72 TRPV1 (0.52) TRPV1HPGDSRAB9ANPC1SMN1; SMN2
SCHEMBL13826660 0.70 DPP4 (0.54) HPGDSRAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL9011326 0.69 CCR1 (0.51) TRPV1HPGDSCCR1PDE3BPDE3A
SCHEMBL10154201 0.69 KDM2B (0.63) TRPV1HPGDSRAB9ANPC1SMN1; SMN2
SCHEMBL530194 0.69 TRPV1 (0.51) TRPV1HPGDSRAB9ANPC1SMN1; SMN2
SCHEMBL5162925 0.69 LMNA (0.59) TRPV1HPGDSRAB9ASMN1; SMN2MEN1

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 TRPV1 3966/4885HPGDS 4260/4885RAB9A 1502/4885

“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.