SCHEMBL1850771

SCHEMBL1850771

N#CCCNC(=O)c1cccc(-c2cccc3nn(Cc4cccc(F)c4)cc23)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 3/20 0.64
PTGER4 P35408 2/20 0.41
KISS1R Q969F8 4/20 0.40
PTAFR P25105 1/20 0.40
CNR1 P21554 1/20 0.40
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRKD1 Q15139 1/20 0.39
GAA P10253 1/20 0.38
CHRM3 P20309 1/20 0.38
SNCA P37840 1/20 0.38
CACNA1G O43497 2/20 0.38
AURKA O14965 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36

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
SCHEMBL1850719 0.92 GPR52 (0.61) GPR52PTGER4KISS1RSMN1; SMN2PRKD1
SCHEMBL3206870 0.91 GPR52 (0.63) GPR52KISS1RPRKD1ADORA3ADORA2B
SCHEMBL3217408 0.91 GPR52 (0.61) GPR52PTGER4KISS1RPRKD1CHRM3
SCHEMBL3208468 0.90 GPR52 (0.57) GPR52KISS1RPRKD1SNCAAURKA
SCHEMBL1848382 0.90 GPR52 (0.62) GPR52PTGER4NPC1RAB9ASMN1; SMN2
SCHEMBL1849152 0.89 GPR52 (0.79) GPR52PTGER4PTAFRCNR1NPC1
SCHEMBL3206470 0.89 GPR52 (0.81) GPR52PTGER4CHRM3
SCHEMBL1851340 0.88 GPR52 (0.59) GPR52PTGER4KISS1RCNR1PRKD1
SCHEMBL3217756 0.87 GPR52 (0.59) GPR52PTGER4KISS1RPTAFRRAB9A
SCHEMBL1856279 0.86 GPR52 (0.77) GPR52PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 GPR52 1/4885PTGER4 888/4885KISS1R 152/4885

“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.