SCHEMBL2224495

SCHEMBL2224495

CC1(N)CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CYP2C19 P33261 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TMEM97 Q5BJF2 3/20 0.45
SIGMAR1 Q99720 3/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD1 P21728 1/20 0.44
HRH2 P25021 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 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
SCHEMBL30069329 1.00 MEN1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL19766668 0.86 MEN1 (0.55) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL4439941 0.86 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL2225945 0.85 SMN1; SMN2 (0.52) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL18132120 0.85 MEN1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL14636135 0.85 MEN1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL1468742 0.85 MEN1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL1709936 0.84 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL29805948 0.84 MEN1 (0.50) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL3024328 0.84 SMN1; SMN2 (0.50) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 MEN1 298/4885KMT2A 1997/4885NPSR1 2720/4885

“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.