SCHEMBL6396338

SCHEMBL6396338

O=C(N1CC2CCC(C1)c1cc(I)ccc12)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
PROKR1 Q8TCW9 11/20 0.34
CYP2C19 P33261 1/20 0.33
EPHX2 P34913 1/20 0.33
RBP4 P02753 3/20 0.33
HPGDS O60760 1/20 0.33

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
SCHEMBL4407833 0.91 ESR1 (0.40) ESR1ESR2CYP2C19EPHX2RBP4
SCHEMBL5769208 0.84 CHRNB2 (0.41) ESR1ESR2PROKR1CYP2C19RBP4
SCHEMBL5769218 0.83 ESR1 (0.40) ESR1ESR2PROKR1
SCHEMBL5768898 0.83 PROKR1 (0.46) ESR1ESR2PROKR1
SCHEMBL2060704 0.83 ESR1 (0.40) ESR1ESR2PROKR1CYP2C19EPHX2
SCHEMBL5770265 0.82 RBP4 (0.47) ESR1ESR2PROKR1CYP2C19EPHX2
SCHEMBL5767104 0.81 CHRNA1 (0.49) ESR1ESR2PROKR1CYP2C19RBP4
SCHEMBL6395748 0.79 ESR1 (0.37) ESR1ESR2PROKR1CYP2C19RBP4
SCHEMBL2062184 0.79 CHRNB4 (0.47) ESR1ESR2
SCHEMBL6390039 0.78 CHRNB2 (0.52) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020616-A1 Aryl fused azapolycyclic compounds PFIZER INC 2005-01-27 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-20050020616-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B ESR1 1594/4885ESR2 1154/4885PROKR1 2234/4885

“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.