SCHEMBL444826

SCHEMBL444826

CCc1cccc2c1nnn2C(=O)N1COCC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.35
CNR1 P21554 1/20 0.35
FAAH O00519 3/20 0.33
MGLL Q99685 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 3/20 0.33
CYP1A2 P05177 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GLA P06280 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
POLB P06746 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 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
SCHEMBL425578 0.81 FAAH (0.47) FAAHMGLLKDM4EALDH1A1GAA
SCHEMBL424700 0.78 MGLL (0.47) CNR2CNR1FAAHMGLLKDM4E
SCHEMBL425936 0.74 KCNMA1 (0.39) CNR2CNR1FAAHMGLLKDM4E
SCHEMBL427660 0.73 CNR2 (0.35) CNR2CNR1KDM4EALDH1A1GAA
SCHEMBL426089 0.73 NAMPT (0.38) FAAHMGLLKDM4EALDH1A1GAA
SCHEMBL427200 0.73 NAMPT (0.45) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL426009 0.72 GAA (0.46) FAAHMGLLKDM4EALDH1A1GAA
SCHEMBL427962 0.72 KCNMA1 (0.48) CNR2FAAHMGLLKDM4EGAA
SCHEMBL427663 0.72 FAAH (0.36) CNR2CNR1FAAHMGLLKDM4E
SCHEMBL424689 0.72 KCNMA1 (0.42) CNR2CNR1FAAHMGLLKDM4E

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
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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 (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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 CNR2 9/4885CNR1 15/4885FAAH 1/4885

“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.