SCHEMBL13148043

SCHEMBL13148043

Nc1cccc(NC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.71
USP2 O75604 7/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
CYP1A2 P05177 5/20 0.66
HPGDS O60760 1/20 0.66
TSHR P16473 4/20 0.60
MAPK1 P28482 1/20 0.60
NAMPT P43490 1/20 0.57
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MGLL Q99685 1/20 0.55
CYP2C9 P11712 1/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL13148048 0.89 HPGDS (0.74) CYP3A4USP2SMN1; SMN2CYP1A2HPGDS
SCHEMBL13148140 0.88 CYP3A4 (0.71) CYP3A4USP2SMN1; SMN2CYP1A2HPGDS
SCHEMBL13148237 0.86 HPGDS (0.64) CYP3A4USP2SMN1; SMN2CYP1A2HPGDS
SCHEMBL13148160 0.85 CYP3A4 (0.71) CYP3A4USP2SMN1; SMN2CYP1A2HPGDS
SCHEMBL13148296 0.85 HPGDS (0.80) CYP3A4USP2SMN1; SMN2CYP1A2HPGDS
SCHEMBL13148152 0.84 CYP3A4 (0.71) CYP3A4USP2SMN1; SMN2CYP1A2HPGDS
SCHEMBL3086645 0.83 CYP3A4 (0.68) CYP3A4USP2SMN1; SMN2CYP1A2HPGDS
SCHEMBL13148282 0.83 HPGDS (0.73) CYP3A4USP2SMN1; SMN2CYP1A2HPGDS
SCHEMBL13148144 0.82 CYP3A4 (0.86) CYP3A4USP2SMN1; SMN2CYP1A2HPGDS
SCHEMBL3076704 0.81 HPGDS (0.74) CYP3A4USP2SMN1; SMN2CYP1A2HPGDS

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 2 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 disclosed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS CYP3A4 2577/4885USP2 3860/4885SMN1; SMN2 1866/4885

“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.