SCHEMBL2615185

SCHEMBL2615185

Fc1cnc2cc3c(cc2n1)C1CCCC3C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 2/20 0.39
▸ CHRNA3 P32297 2/20 0.39
▸ CHRNB2 P17787 2/20 0.39
▸ CHRNA4 P43681 2/20 0.39
▸ CHRNA1 P02708 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ CHRNG P07510 1/20 0.39
▸ CHRNB1 P11230 1/20 0.39
▸ CHRNA5 P30532 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ CHRND Q07001 1/20 0.39
▸ CHRNA2 Q15822 1/20 0.39
▸ ALOX5AP P20292 6/20 0.36
▸ FEN1 P39748 6/20 0.36
▸ PDGFRB P09619 2/20 0.32
▸ PDGFRA P16234 2/20 0.32

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
SCHEMBL13285194 0.82 CHRNB2 (0.62) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL13561408 0.76 CHRNB2 (0.62) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL2616761 0.76 CHRNB2 (0.62) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL10025840 0.67 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL18309474 0.66 SMN1; SMN2 (0.56) ALOX5APFEN1PDGFRB
SCHEMBL21074656 0.64 CHRNB2 (0.58) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL6886940 0.63 CHRNB2 (0.70) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL29761231 0.63 CHRNB2 (0.70) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL16343697 0.63 CHRNB2 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL18117455 0.63 CHRNB2 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1

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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 — — 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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS CHRNB4 4062/4885CHRNA3 4070/4885CHRNB2 4089/4885

“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.

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