SCHEMBL19919700

SCHEMBL19919700

CC1(C(=O)O)CCC(C(N)=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.39
GRM2 Q14416 2/20 0.39
GRM3 Q14832 2/20 0.39
GRM4 Q14833 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 2/20 0.39
MTOR P42345 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
PLCB1 Q9NQ66 1/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.35
MAPK1 P28482 2/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL28243791 0.84 SMN1; SMN2 (0.41) FFAR3SMN1; SMN2GRM2GRM3GRM4
SCHEMBL431288 0.82 FFAR3 (0.59) FFAR3SMN1; SMN2GRM2GRM3GRM4
SCHEMBL11799188 0.82 FFAR3 (0.59) FFAR3SMN1; SMN2GRM2GRM3GRM4
SCHEMBL16892280 0.80 FFAR3 (0.56) FFAR3SMN1; SMN2GRM2GRM3GRM4
SCHEMBL3470932 0.80 FFAR3 (0.56) FFAR3SMN1; SMN2GRM2GRM3GRM4
SCHEMBL23458958 0.79 FFAR3 (0.62) FFAR3SMN1; SMN2GRM2GRM3GRM4
SCHEMBL2232346 0.79 SMN1; SMN2 (0.43) SMN1; SMN2GRM2GRM3GRM4CYP2C19
SCHEMBL21834030 0.78 FFAR3 (0.54) FFAR3SMN1; SMN2GRM2GRM3GRM4
SCHEMBL21834034 0.78 FFAR3 (0.54) FFAR3SMN1; SMN2GRM2GRM3GRM4
SCHEMBL20855519 0.78 SMN1; SMN2 (0.40) FFAR3SMN1; SMN2TDP1GAANPSR1

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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 FFAR3 1249/4885SMN1; SMN2 4014/4885GRM2 2381/4885

“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.