SCHEMBL529979

SCHEMBL529979

CN1CCC(N(C)c2[c]cc3ccccc3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
NMT1 P30419 3/20 0.44
HTR2A P28223 4/20 0.40
HTR2C P28335 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MCL1 Q07820 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HTR3A P46098 2/20 0.38
HRH4 Q9H3N8 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL3064449 0.72 NCF1 (0.47) SMN1; SMN2MAPK1ALDH1A1KMT2ALMNA
SCHEMBL5247027 0.69 CXCR3 (0.56) POLBSMN1; SMN2TSHRMAPK1NMT1
SCHEMBL5244816 0.69 EBP (0.58) POLBSMN1; SMN2TSHRMAPK1NMT1
SCHEMBL13162841 0.68 DRD2 (0.49) POLBSMN1; SMN2TSHRMAPK1NMT1
SCHEMBL901151 0.68 HTR2A (0.54) POLBSMN1; SMN2TSHRMAPK1NMT1
SCHEMBL933519 0.66 KDM4E (0.45) POLBSMN1; SMN2TSHRMAPK1NMT1
SCHEMBL1084147 0.65 POLB (1.00) POLBSMN1; SMN2TSHRMAPK1NMT1
SCHEMBL29104565 0.65 POLB (0.49) POLBSMN1; SMN2TSHRMAPK1NMT1
SCHEMBL30648019 0.65 POLB (0.49) POLBSMN1; SMN2TSHRMAPK1NMT1
SCHEMBL15227772 0.64 HTR2A (0.54) POLBSMN1; SMN2TSHRMAPK1HTR2A

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 POLB 2238/4885SMN1; SMN2 4148/4885TSHR 4101/4885

“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.