SCHEMBL5451923

SCHEMBL5451923

CC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccc(Br)cc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.51
HTR2A P28223 2/20 0.46
HRH2 P25021 1/20 0.46
CNR2 P34972 4/20 0.43
CREBBP Q92793 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL5427206 0.93 KCNH2 (0.51) KCNH2HTR2ACNR2CREBBPKDM4E
SCHEMBL14411329 0.88 KCNH2 (0.57) KCNH2HTR2ACNR2CREBBPALDH1A1
SCHEMBL5460928 0.87 CNR2 (0.51) KCNH2HTR2AHRH2CNR2ALDH1A1
SCHEMBL5448736 0.86 KCNH2 (0.60) KCNH2HTR2ACNR2CREBBPALDH1A1
SCHEMBL5451200 0.83 CNR2 (0.51) KCNH2HTR2AHRH2CNR2ALDH1A1
SCHEMBL5453388 0.82 KCNH2 (0.52) KCNH2HTR2AHRH2CNR2CREBBP
SCHEMBL5441698 0.81 HRH2 (0.46) HRH2CNR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL5453565 0.79 ALDH1A1 (0.42) HRH2CNR2CREBBPALDH1A1SMN1; SMN2
SCHEMBL5456124 0.79 CNR2 (0.46) HRH2CNR2ALDH1A1SMN1; SMN2CNR1
SCHEMBL5463328 0.79 KCNH2 (0.53) KCNH2HTR2AHRH2CNR2CREBBP

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 KCNH2 4294/4885HTR2A 396/4885HRH2 418/4885

“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.