SCHEMBL3086884

SCHEMBL3086884

O=C(O)c1ccc2nc(NC(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)sc2c1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.79
LMNA P02545 2/20 0.52
MAPK1 P28482 1/20 0.52
LRRK2 Q5S007 1/20 0.52
ACP1 P24666 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.51
TRPV1 Q8NER1 3/20 0.51
USP2 O75604 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
UBE2M P61081 1/20 0.49
DCUN1D1 Q96GG9 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL3090814 0.91 HPGDS (0.78) HPGDSLMNAMAPK1LRRK2ACP1
SCHEMBL13148071 0.90 HPGDS (0.76) HPGDSLMNAMAPK1LRRK2ACP1
SCHEMBL28379 0.88 HPGDS (1.00) HPGDSLMNALRRK2TRPM8TRPV1
SCHEMBL28465 0.88 HPGDS (1.00) HPGDSLMNAMAPK1TRPM8TRPV1
SCHEMBL13148063 0.88 HPGDS (0.79) HPGDSLMNAMAPK1LRRK2TRPM8
SCHEMBL28223 0.88 HPGDS (1.00) HPGDSLMNAMAPK1LRRK2TRPM8
SCHEMBL3087846 0.88 HPGDS (0.78) HPGDSLMNALRRK2ACP1TRPV1
SCHEMBL3086785 0.86 HPGDS (0.76) HPGDSLMNAACP1TRPV1USP2
SCHEMBL27466 0.86 HPGDS (1.00) HPGDSUSP2CYP3A4CYP1A2ALDH1A1
SCHEMBL13148073 0.86 HPGDS (0.78) HPGDSLMNATRPV1USP2CYP3A4

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 7 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
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
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
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 HPGDS 1/4885LMNA 1934/4885MAPK1 1990/4885

“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.