SCHEMBL5446362

SCHEMBL5446362

CCc1cccc2c(C(C)=O)cn(CCCN3CCC(CCOc4ccc(Cl)cc4)CC3)c12

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.44
SIGMAR1 Q99720 2/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 7/20 0.42
MAOA P21397 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL5444433 0.92 HRH3 (0.46) HRH3SIGMAR1ALDH1A1SMN1; SMN2MAOB
SCHEMBL5445213 0.91 NPY1R (0.45) HRH3SIGMAR1ALDH1A1SMN1; SMN2MAOB
SCHEMBL5447266 0.90 MEN1 (0.50) HRH3ALDH1A1SMN1; SMN2
SCHEMBL5332049 0.88 HRH3 (0.42) HRH3SIGMAR1ALDH1A1SMN1; SMN2MAOB
SCHEMBL5476485 0.85 HRH3 (0.46) HRH3SIGMAR1ALDH1A1SMN1; SMN2MAOB
SCHEMBL5455205 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAOBMAOA
SCHEMBL5457594 0.81 MAPT (0.49) HRH3SIGMAR1ALDH1A1SMN1; SMN2TP53
SCHEMBL5448732 0.81 PTPN7 (0.50) SIGMAR1ALDH1A1MAOB
SCHEMBL5453742 0.81 MEN1 (0.49) ALDH1A1SMN1; SMN2TP53
SCHEMBL5460440 0.80 HRH3 (0.42) HRH3ALDH1A1SMN1; SMN2MAOBMAOA

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 4 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
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 WO 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 HRH3 527/4885SIGMAR1 175/4885ALDH1A1 2963/4885

“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.