SCHEMBL1961136

SCHEMBL1961136

CCC(=O)c1cnc(-c2nn(-c3ccc(F)cc3)cc2Sc2ccc(Cl)cc2)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.67
KCNH2 Q12809 4/20 0.67
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
CDK2 P24941 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MAPT P10636 1/20 0.33
UBE2N P61088 1/20 0.33
CCNE1 P24864 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGES O14684 1/20 0.32
CHRNA7 P36544 3/20 0.32

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
SCHEMBL12551879 0.90 FAAH (0.70) FAAHKCNH2CDK2L3MBTL1PTGDR2
SCHEMBL15016219 0.89 FAAH (0.68) FAAHKCNH2KDM4ELMNACDK2
SCHEMBL1535331 0.87 FAAH (0.67) FAAHKCNH2RAB9AKDM4ELMNA
SCHEMBL1961135 0.83 FAAH (0.67) FAAHKCNH2NPC1RAB9AKDM4E
SCHEMBL8001300 0.82 FAAH (0.73) FAAHKCNH2KDM4ELMNACDK2
SCHEMBL12551892 0.82 FAAH (0.70) FAAHKCNH2CDK2L3MBTL1MAPT
SCHEMBL1959250 0.80 FAAH (1.00) FAAHKCNH2CDK2L3MBTL1MAPT
SCHEMBL1963544 0.80 FAAH (0.67) FAAHKCNH2RAB9AKDM4ELMNA
SCHEMBL1961941 0.79 FAAH (0.64) FAAHKCNH2NPC1RAB9AKDM4E
SCHEMBL8001298 0.78 FAAH (0.82) FAAHKCNH2CDK2CCNE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US 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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 FAAH 1/4885KCNH2 930/4885NPC1 1092/4885

“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.