SCHEMBL5559499

SCHEMBL5559499

Cc1ccc2c(c1)C(N1CCNC(CCc3ccc(F)cc3)C1)=Nc1cc(F)ccc1N2

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.50
HRH1 P35367 1/20 0.50
PAK1 Q13153 1/20 0.50
DRD2 P14416 4/20 0.41
DRD4 P21917 2/20 0.41
DRD1 P21728 2/20 0.41
KCNH2 Q12809 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
SCHEMBL5559491 1.00 CHRM1 (0.50) CHRM1HRH1PAK1DRD2DRD4
SCHEMBL5559494 1.00 CHRM1 (0.50) CHRM1HRH1PAK1DRD2DRD4
Succinic Acid SCHEMBL5558774 0.93 HRH1 (0.44) CHRM1HRH1PAK1DRD2DRD4
Succinic Acid SCHEMBL5558777 0.93 HRH1 (0.44) CHRM1HRH1PAK1DRD2DRD4
SCHEMBL14156676 0.91 CHRM1 (0.52) CHRM1HRH1PAK1DRD2DRD1
SCHEMBL5564042 0.89 CHRM1 (0.48) CHRM1HRH1PAK1DRD2DRD1
SCHEMBL5564046 0.89 CHRM1 (0.48) CHRM1HRH1PAK1DRD2DRD1
SCHEMBL5564040 0.89 CHRM1 (0.48) CHRM1HRH1PAK1DRD2DRD1
SCHEMBL4847455 0.88 CHRM1 (0.49) CHRM1HRH1PAK1DRD2DRD4
SCHEMBL4847472 0.88 CHRM1 (0.49) CHRM1HRH1PAK1DRD2DRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-20050203296-A1 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY 2005-09-15 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-20050203296-A1 For therapy of psychosis and bipolar disorder DRD4, AFF4, DRD2 CHRM1 203/4885HRH1 201/4885PAK1 4216/4885

“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.