SCHEMBL6407012

SCHEMBL6407012

COc1ccc(CN2CCC(=O)C(C(c3ccc(F)cc3)c3ccc(F)cc3)C2)c(OC)c1OC

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.83
LMNA P02545 1/20 0.62
CHRM2 P08172 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
CHRM1 P11229 1/20 0.62
DRD2 P14416 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
CNR1 P21554 1/20 0.62
SLC6A2 P23975 1/20 0.62
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
ADRA1A P35348 1/20 0.62
HRH1 P35367 1/20 0.62
OPRM1 P35372 1/20 0.62
DRD3 P35462 1/20 0.62
OPRK1 P41145 1/20 0.62
HTR2B P41595 1/20 0.62
HTT P42858 1/20 0.62
CACNA1B Q00975 1/20 0.62

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
SCHEMBL6411922 0.88 TACR1 (1.00) TACR1
SCHEMBL6409960 0.86 TACR1 (1.00) TACR1
SCHEMBL6411375 0.85 TACR1 (0.90) TACR1
SCHEMBL6407682 0.84 TACR1 (1.00) TACR1
SCHEMBL6409801 0.84 TACR1 (0.96) TACR1
SCHEMBL6407881 0.84 TACR1 (1.00) TACR1
SCHEMBL6407277 0.84 TACR1 (0.86) TACR1
SCHEMBL6407058 0.83 TACR1 (0.83) TACR1
SCHEMBL6411067 0.83 TACR1 (1.00) TACR1
SCHEMBL6413766 0.81 TACR1 (0.76) TACR1

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-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2005-02-17 US disclosed
EP-1460062-A1 NITROGENOUS CYCLIC KETONE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use BDKRB1, BDKRB2, TACR1 TACR1 3/4885LMNA 4687/4885CHRM2 313/4885

“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.