SCHEMBL3081883

SCHEMBL3081883

O=C(O)N1CCN(C(=O)c2cccc(F)c2)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.79
ALDH1A1 P00352 2/20 0.67
USP2 O75604 2/20 0.66
PLA2G7 Q13093 1/20 0.66
LMNA P02545 1/20 0.65
HTT P42858 2/20 0.63
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
MAPK1 P28482 2/20 0.61
ABL1 P00519 1/20 0.60
BCR P11274 1/20 0.60
MEN1 O00255 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
KMT2A Q03164 1/20 0.60
HSD11B1 P28845 1/20 0.59

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
SCHEMBL20804546 0.93 SMN1; SMN2 (0.90) SMN1; SMN2ALDH1A1USP2PLA2G7LMNA
SCHEMBL3088392 0.87 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1USP2PLA2G7LMNA
SCHEMBL31065708 0.86 SMN1; SMN2 (0.90) SMN1; SMN2ALDH1A1PLA2G7LMNAHTT
SCHEMBL4387885 0.86 SMN1; SMN2 (0.90) SMN1; SMN2ALDH1A1PLA2G7LMNAHTT
SCHEMBL3088389 0.85 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1USP2PLA2G7LMNA
SCHEMBL13504009 0.85 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1USP2PLA2G7LMNA
SCHEMBL1246964 0.85 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1USP2PLA2G7LMNA
SCHEMBL10183423 0.85 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1USP2PLA2G7LMNA
SCHEMBL29944047 0.85 SMN1; SMN2 (0.87) SMN1; SMN2ALDH1A1PLA2G7LMNAHTT
SCHEMBL3123564 0.82 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1USP2PLA2G7LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS SMN1; SMN2 1866/4885ALDH1A1 614/4885USP2 3860/4885

“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.