SCHEMBL5768898

SCHEMBL5768898

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

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 18/20 0.46
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 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
SCHEMBL4686593 0.91 CHRNB2 (0.46) PROKR1ESR1ESR2CHRNB2CHRNA4
SCHEMBL5769208 0.84 CHRNB2 (0.41) PROKR1ESR1ESR2CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7092182 0.83 CHRNB2 (0.59) PROKR1CHRNB2CHRNA4
SCHEMBL2060704 0.83 ESR1 (0.40) PROKR1ESR1ESR2CHRNB2CHRNA4
SCHEMBL5769218 0.83 ESR1 (0.40) PROKR1ESR1ESR2
SCHEMBL6396338 0.83 ESR1 (0.40) PROKR1ESR1ESR2
SCHEMBL5770265 0.82 RBP4 (0.47) PROKR1ESR1ESR2
SCHEMBL2274727 0.81 PROKR1 (0.43) PROKR1
SCHEMBL5767104 0.81 CHRNA1 (0.49) PROKR1ESR1ESR2CHRNB2CHRNA4
SCHEMBL2277918 0.79 HSD11B1 (0.46) PROKR1

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-20050020616-A1 Aryl fused azapolycyclic compounds PFIZER INC 2005-01-27 US claimed
EP-1648872-A2 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2006-04-26 EP disclosed
WO-2005007630-A2 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-01-27 WO disclosed
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 PROKR1 2234/4885ESR1 1594/4885ESR2 1154/4885

“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.