SCHEMBL315988

SCHEMBL315988

CCCCOC(=O)N1CCN(C(=O)[C@@H](N)COC(=O)C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HRH2 P25021 8/20 0.36
HRH1 P35367 8/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
P2RY12 Q9H244 5/20 0.36
TSHR P16473 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 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
SCHEMBL3329393 0.84 LMNA (0.52) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL3329398 0.84 LMNA (0.52) LMNAPOLBSMN1; SMN2HRH2HRH1
Trifluoroacetic Acid SCHEMBL315987 0.83 LMNA (0.46) LMNAPOLBSMN1; SMN2HRH2HRH1
Trifluoroacetic Acid SCHEMBL3328879 0.83 LMNA (0.46) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL953977 0.82 POLB (0.50) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL953978 0.82 POLB (0.50) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL523122 0.82 POLB (0.55) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL523121 0.82 POLB (0.55) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL3328764 0.81 POLB (0.51) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL3328760 0.81 POLB (0.51) LMNAPOLBSMN1; SMN2HRH2HRH1

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
EP-2081903-B1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-05-07 EP disclosed
US-8093250-B2 2-aminocarbonyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-10 US disclosed
US-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-11 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-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES P2RY12, P2RY2, P2RY1 LMNA 2766/4885POLB 4323/4885SMN1; SMN2 3232/4885

“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.