SCHEMBL21677044

SCHEMBL21677044

CC(C)NC(O)c1cc(C#N)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SCN1A P35498 2/20 0.37
SCN5A Q14524 2/20 0.37
SCN8A Q9UQD0 2/20 0.37
NR1I2 O75469 1/20 0.37
SCN1B Q07699 1/20 0.37
TNF P01375 2/20 0.36
TRPA1 O75762 2/20 0.36
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
CYP2C9 P11712 1/20 0.35
KCNH2 Q12809 1/20 0.35
GPR6 P46095 2/20 0.34
TBXA2R P21731 2/20 0.34
ADRB3 P13945 1/20 0.33
P4HB P07237 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL7216331 0.82 GAA (0.41) GAASMN1; SMN2SCN1ASCN5ASCN8A
SCHEMBL2693324 0.78 GAA (0.40) GAASMN1; SMN2SCN1ASCN5ASCN8A
SCHEMBL26946374 0.76 SCN1A (0.44) GAASMN1; SMN2SCN1ASCN5ASCN8A
SCHEMBL30682614 0.75 PDE2A (0.40) GAASMN1; SMN2SCN1ASCN5ASCN8A
SCHEMBL18450600 0.75 PDE2A (0.40) GAASMN1; SMN2SCN1ASCN5ASCN8A
SCHEMBL29668996 0.75 PDE2A (0.40) GAASMN1; SMN2SCN1ASCN5ASCN8A
SCHEMBL26352255 0.75 GAA (0.38) GAASMN1; SMN2SCN1ASCN5ASCN8A
SCHEMBL22303850 0.75 GAA (0.38) GAASMN1; SMN2SCN1ASCN5ASCN8A
SCHEMBL16952156 0.75 GAA (0.38) GAASMN1; SMN2SCN1ASCN5ASCN8A
SCHEMBL27945350 0.75 GAA (0.38) GAASMN1; SMN2SCN1ASCN5ASCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2020-02-06 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-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA GAA 924/4885SMN1; SMN2 3833/4885SCN1A 1944/4885

“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.