SCHEMBL5452918

SCHEMBL5452918

O=C(c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2ccccc12)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.49
IDO1 P14902 4/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
S1PR1 P21453 1/20 0.44
CNR2 P34972 1/20 0.41
HTT P42858 1/20 0.40
OPRK1 P41145 2/20 0.40
KCNH2 Q12809 2/20 0.40
THRB P10828 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 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
SCHEMBL5454571 0.88 SMN1; SMN2 (0.51) HTR3ATP53CNR2OPRK1KCNH2
SCHEMBL14411543 0.88 SMN1; SMN2 (0.51) HTR3ATP53CNR2OPRK1KCNH2
SCHEMBL14411761 0.88 SMN1; SMN2 (0.51) HTR3ATP53CNR2OPRK1KCNH2
SCHEMBL14410850 0.88 SMN1; SMN2 (0.51) HTR3ATP53CNR2OPRK1KCNH2
SCHEMBL5460350 0.86 SMN1; SMN2 (0.51) HTR3ATP53CNR2OPRK1KCNH2
SCHEMBL5464700 0.86 IDO1 (0.47) HTR3AIDO1TP53KDM4ES1PR1
SCHEMBL5453740 0.84 HTR3A (0.51) HTR3ATP53CNR2OPRK1KCNH2
SCHEMBL5462025 0.83 HTR3A (0.51) HTR3AIDO1KDM4ES1PR1CNR2
SCHEMBL14463922 0.81 KDM4E (0.51) HTR3AIDO1KDM4ES1PR1CNR2
SCHEMBL5453769 0.79 HTR3A (0.51) HTR3AIDO1CNR2

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 HTR3A 373/4885IDO1 3073/4885TP53 3721/4885

“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.