SCHEMBL5448583

SCHEMBL5448583

CCc1cccc2c(C(C)=O)cn(CCCN3CCN(CCOc4ccc(Cl)c5ccccc45)CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
NR2F2 P24468 1/20 0.41
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HRH2 P25021 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTR1A P08908 2/20 0.39
HTR2A P28223 2/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL5446531 0.90 NR2F2 (0.48) KMT2ASMN1; SMN2CNR1CNR2L3MBTL1
SCHEMBL5451255 0.88 KMT2A (0.44) KMT2ACNR1CNR2L3MBTL1ALDH1A1
SCHEMBL5446845 0.87 HTR1A (0.43) KMT2ASMN1; SMN2CNR1CNR2L3MBTL1
SCHEMBL5453673 0.86 CNR1 (0.44) KMT2ACNR1CNR2HTR1AHTR2A
SCHEMBL5455205 0.85 ALDH1A1 (0.56) SMN1; SMN2L3MBTL1ALDH1A1GAATSHR
SCHEMBL5447266 0.85 MEN1 (0.50) KMT2ASMN1; SMN2L3MBTL1ALDH1A1HRH2
SCHEMBL5447887 0.80 PKM (0.44) KMT2ASMN1; SMN2CNR1CNR2ALDH1A1
SCHEMBL5446902 0.80 ALDH1A1 (0.56) KMT2ASMN1; SMN2L3MBTL1ALDH1A1TSHR
SCHEMBL5457344 0.80 MAPT (0.55) KMT2ACNR1CNR2L3MBTL1ALDH1A1
SCHEMBL5450021 0.79 CNR2 (0.54) KMT2ASMN1; SMN2CNR2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR KMT2A 4056/4885SMN1; SMN2 1701/4885CNR1 65/4885

“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.