SCHEMBL13148231

SCHEMBL13148231

CCN(CC)C(=O)c1cccc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.57
RAB9A P51151 1/20 0.52
CYP3A4 P08684 4/20 0.52
USP2 O75604 3/20 0.52
CYP1A2 P05177 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
NAMPT P43490 3/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.48
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 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
SCHEMBL3075272 0.83 HPGDS (0.65) HPGDSCYP3A4USP2CYP1A2SMN1; SMN2
SCHEMBL13148296 0.82 HPGDS (0.80) HPGDSCYP3A4USP2CYP1A2SMN1; SMN2
SCHEMBL3089960 0.82 HPGDS (0.61) HPGDSCYP3A4USP2CYP1A2SMN1; SMN2
SCHEMBL13148124 0.82 HPGDS (0.64) HPGDSCYP3A4USP2CYP1A2SMN1; SMN2
SCHEMBL13148228 0.81 SMN1; SMN2 (0.73) HPGDSRAB9ACYP3A4USP2CYP1A2
SCHEMBL13148240 0.80 CYP3A4 (0.65) HPGDSRAB9ACYP3A4USP2CYP1A2
SCHEMBL13148237 0.79 HPGDS (0.64) HPGDSCYP3A4USP2CYP1A2SMN1; SMN2
SCHEMBL3090576 0.79 HPGD (0.54) USP2SMN1; SMN2TSHRMAPK1LMNA
SCHEMBL13148047 0.77 HPGDS (0.75) HPGDSRAB9ACYP3A4USP2CYP1A2
SCHEMBL13148236 0.76 CYP3A4 (0.64) HPGDSRAB9ACYP3A4USP2CYP1A2

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 HPGDS 1/4885RAB9A 2884/4885CYP3A4 2577/4885

“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.