SCHEMBL5455205

SCHEMBL5455205

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PKM P14618 2/20 0.47
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
KCNA5 P22460 3/20 0.44
MAOB P27338 3/20 0.44
MAOA P21397 1/20 0.44
PTPN7 P35236 2/20 0.43
DUSP3 P51452 1/20 0.43

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
SCHEMBL5447266 0.92 MEN1 (0.50) ALDH1A1SMN1; SMN2L3MBTL1KCNA5
SCHEMBL5446909 0.89 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2PKMTSHRL3MBTL1
SCHEMBL5446836 0.88 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2PKMTSHRL3MBTL1
SCHEMBL5446902 0.88 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2PKMTSHRL3MBTL1
SCHEMBL5452038 0.87 PTPN7 (0.57) ALDH1A1SMN1; SMN2PKMTSHRL3MBTL1
SCHEMBL5448848 0.86 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2PKMTSHRL3MBTL1
SCHEMBL5448583 0.85 KMT2A (0.42) ALDH1A1SMN1; SMN2TSHRL3MBTL1GAA
SCHEMBL5443756 0.85 PTPN7 (0.55) ALDH1A1SMN1; SMN2PKMTSHRL3MBTL1
SCHEMBL5457236 0.84 PTPN7 (0.56) ALDH1A1SMN1; SMN2TSHRL3MBTL1GAA
SCHEMBL5345446 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2PKMTSHRL3MBTL1

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 ALDH1A1 2963/4885SMN1; SMN2 1701/4885PKM 4015/4885

“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.