SCHEMBL2460833

SCHEMBL2460833

CC(C1CCCC1)N1Cc2ncnc(Nc3cnc4ccccc4c3)c2C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.45
TRPV1 Q8NER1 4/20 0.40
TNF P01375 1/20 0.39
ULK1 O75385 1/20 0.39
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
IGF1R P08069 1/20 0.37
SYK P43405 1/20 0.36
GRM4 Q14833 1/20 0.36

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
SCHEMBL2458877 0.99 FAAH (0.47) FAAHTRPV1TNFULK1CCNE2
SCHEMBL2456458 0.98 FAAH (0.45) FAAHTRPV1TNFULK1CCNE2
SCHEMBL2460298 0.92 TRPV1 (0.40) FAAHTRPV1TNFULK1CCNE2
SCHEMBL2455656 0.87 FAAH (0.46) FAAHTRPV1TNFCCNE2CCNE1
SCHEMBL2536956 0.85 FAAH (0.43) FAAHTRPV1TNFCCNE2CCNE1
SCHEMBL2463768 0.83 FAAH (0.43) FAAHTRPV1TNFCCNE2CCNE1
SCHEMBL2457411 0.82 FAAH (0.42) FAAHTRPV1TNFCCNE2CCNE1
SCHEMBL2458153 0.81 FAAH (0.48) FAAHTRPV1TNFULK1IGF1R
SCHEMBL2490330 0.81 FAAH (0.42) FAAHTRPV1TNFULK1CCNE2
SCHEMBL7903064 0.80 FAAH (0.48) FAAHTRPV1TNFCCNE2CCNE1

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 9 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
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 1/4885TRPV1 479/4885TNF 679/4885

“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.