SCHEMBL20558151

SCHEMBL20558151

NC(=O)c1cnn(C(=O)N2CC3CN(Cc4cccc(C(F)(F)F)c4)CC3C2)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.47
S1PR1 P21453 1/20 0.45
GRK5 P34947 1/20 0.45
CDK8 P49336 1/20 0.45
S1PR5 Q9H228 1/20 0.45
MGLL Q99685 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
SCHEMBL21276338 0.90 FAAH (0.52) FAAHS1PR1GRK5CDK8S1PR5
SCHEMBL21276189 0.88 FAAH (0.48) FAAH
SCHEMBL21276222 0.88 CACNA1B (0.46) FAAH
SCHEMBL21276123 0.88 FAAH (0.47) FAAH
SCHEMBL21276178 0.86 FAAH (0.62) FAAH
SCHEMBL21276161 0.86 GPR52 (0.46) FAAH
SCHEMBL20557986 0.84 FAAH (0.44) FAAH
SCHEMBL21257965 0.82 FAAH (0.48) FAAH
SCHEMBL24971563 0.82 FAAH (0.64) FAAHS1PR1GRK5CDK8S1PR5
SCHEMBL30420810 0.82 FAAH (0.64) FAAHS1PR1GRK5CDK8S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385057-B2 Pyrazole compounds and methods of making and using same LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2019-08-20 US disclosed
US-10385057-B2 Pyrazole compounds and methods of making and using same LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2019-08-20 US disclosed
US-20180327410-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2018-11-15 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 (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-20180327410-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME FAAH, FAAH2, MGLL FAAH 1/4885S1PR1 676/4885GRK5 220/4885
US-10385057-B2 Pyrazole compounds and methods of making and using same FAAH, FAAH2, MGLL FAAH 1/4885S1PR1 676/4885GRK5 220/4885

“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.