SCHEMBL5452038

SCHEMBL5452038

CCc1cccc2c(C(=O)NCc3ccccc3)cn(CCCN3CCN(CCOc4ccccc4)CC3)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 2/20 0.57
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.43
PKM P14618 1/20 0.43
CNR2 P34972 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE10A Q9Y233 1/20 0.42
BRD4 O60885 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
ABL1 P00519 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
LYN P07948 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
BCR P11274 1/20 0.41

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
SCHEMBL5443756 0.97 PTPN7 (0.55) PTPN7LMNATSHRL3MBTL1ALDH1A1
SCHEMBL5457236 0.97 PTPN7 (0.56) PTPN7LMNATSHRL3MBTL1ALDH1A1
SCHEMBL5454281 0.95 PTPN7 (0.53) PTPN7LMNAL3MBTL1ALDH1A1CNR2
SCHEMBL5446675 0.94 PTPN7 (0.51) PTPN7LMNAL3MBTL1ALDH1A1CNR2
SCHEMBL5448974 0.92 PTPN7 (0.49) PTPN7LMNAL3MBTL1CNR2SMN1; SMN2
SCHEMBL5453053 0.90 PTPN7 (0.47) PTPN7TSHRL3MBTL1ALDH1A1CNR2
SCHEMBL14464007 0.90 PTPN7 (0.52) PTPN7LMNACNR2KDM4EHTR7
SCHEMBL5448732 0.90 PTPN7 (0.50) PTPN7LMNAALDH1A1CNR2KDM4E
SCHEMBL14411422 0.88 CNR1 (0.45) PTPN7TSHRALDH1A1CNR2ROCK2
SCHEMBL14412038 0.88 LMNA (0.49) PTPN7LMNAALDH1A1CNR2PDE10A

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 PTPN7 592/4885LMNA 3791/4885TSHR 87/4885

“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.