SCHEMBL2455326

SCHEMBL2455326

O=C(NCC1CCCCC1)N1Cc2ncnc(Nc3cnc4ccccc4c3)c2C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.49
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
TRPV1 Q8NER1 3/20 0.42
METTL3 Q86U44 1/20 0.42
EPHX1 P07099 1/20 0.42
LCK P06239 1/20 0.40
BTK Q06187 1/20 0.40
BACE1 P56817 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL2455001 0.87 LCK (0.51) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2455004 0.82 NPC1 (0.53) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL3346283 0.81 FAAH (0.46) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2457322 0.81 FAAH (0.64) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2458879 0.80 FAAH (0.56) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2463733 0.80 FAAH (0.45) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2456948 0.80 FAAH (0.62) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2535931 0.80 KDM4E (0.48) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2531467 0.80 KDM4E (0.48) FAAHKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2460834 0.79 FAAH (0.54) FAAHTRPV1

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
US-20110257208-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. 2011-10-20 US claimed
EP-2364316-A1 6, 7 -dihydro- 5h- pyrrolo [3, 4-d¨pyrimidin-4-yl]-quinolin-3 -ylamine compounds useful as FAAH modulators and uses thereof Renovis, Inc. (US) 2011-09-14 EP claimed
WO-2010059610-A1 6, 7 -DIHYDRO- 5H- PYRROLO [3, 4-D] PYRIMIDIN-4-YL] -QUINOLIN-3 -YLAMINE COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-05-27 WO claimed
US-20110257208-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. 2011-10-20 US disclosed
US-20110257208-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. 2011-10-20 US disclosed
EP-2364316-A1 6, 7 -dihydro- 5h- pyrrolo [3, 4-d¨pyrimidin-4-yl]-quinolin-3 -ylamine compounds useful as FAAH modulators and uses thereof Renovis, Inc. (US) 2011-09-14 EP disclosed
WO-2010059610-A1 6, 7 -DIHYDRO- 5H- PYRROLO [3, 4-D] PYRIMIDIN-4-YL] -QUINOLIN-3 -YLAMINE COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-05-27 WO disclosed
WO-2010059610-A1 6, 7 -DIHYDRO- 5H- PYRROLO [3, 4-D] PYRIMIDIN-4-YL] -QUINOLIN-3 -YLAMINE COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-05-27 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-20110257208-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF FAAH, FAAH2, CNR2 FAAH 1/4885KDM4E 3669/4885NPC1 2479/4885

“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.