SCHEMBL530072

SCHEMBL530072

CN1CCN(CCc2cccc(N)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.70
HTR1A P08908 2/20 0.59
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
TMEM97 Q5BJF2 1/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
ADRA2C P18825 1/20 0.53
HRH3 Q9Y5N1 2/20 0.53
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
SLC6A3 Q01959 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL3150811 0.90 SIGMAR1 (0.76) SIGMAR1HTR1AHTR1DHTR1BADRA2C
SCHEMBL13242878 0.89 SIGMAR1 (0.68) SIGMAR1HTR1AHTR1DHTR1BHRH3
SCHEMBL13242848 0.86 SIGMAR1 (0.69) SIGMAR1HTR1AHTR1DHTR1BHRH3
SCHEMBL528725 0.86 SIGMAR1 (0.69) SIGMAR1HTR1AHTR1DHTR1BHRH3
SCHEMBL1801297 0.85 SIGMAR1 (0.68) SIGMAR1HTR1ACYP1A2HTR1DHTR1B
SCHEMBL10559365 0.85 SIGMAR1 (0.68) SIGMAR1HTR1ACYP1A2HTR1DHTR1B
SCHEMBL62758 0.85 LMNA (0.64) SIGMAR1ADRA2CHRH3LMNA
SCHEMBL29715963 0.85 LMNA (0.64) SIGMAR1ADRA2CHRH3LMNA
SCHEMBL20272180 0.84 SIGMAR1 (0.76) SIGMAR1HTR1AHTR1DHTR1BMAOA
Hydrochloric Acid SCHEMBL14999805 0.83 LMNA (0.62) SIGMAR1ADRA2CHRH3LMNA

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 8 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
US-20080114007-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-15 US disclosed
WO-2008055013-A2 5-OXO-5,8 - DIHYDRO - PYRIDO - PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-08 WO disclosed
EP-1560829-B1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY (II) HOFFMANN LA ROCHE (CH) 2008-02-20 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 (2 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-20080114007-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE FLT3, FES, ALK SIGMAR1 3629/4885HTR1A 1627/4885CYP1A2 1419/4885
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NADK, NEK1 SIGMAR1 3141/4885HTR1A 1638/4885CYP1A2 2581/4885

“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.