SCHEMBL15038220

SCHEMBL15038220

CN1CCCC[C@H]1C(F)F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 6/20 0.38
▸ CHRNA3 P32297 6/20 0.38
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ SLC6A9 P48067 2/20 0.31

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
SCHEMBL21567203 1.00 CHRNB4 (0.38) CHRNB4CHRNA3SLC6A2SLC6A4SLC6A3
SCHEMBL15038199 0.98 CYP1A2 (0.39) CHRNB4CHRNA3SLC6A2SLC6A4SLC6A3
SCHEMBL19931584 0.93 — —
SCHEMBL18270966 0.93 — —
SCHEMBL14930351 0.93 — —
SCHEMBL18270874 0.82 — —
SCHEMBL18270877 0.82 — —
SCHEMBL17735692 0.78 CHRNB4 (0.43) CHRNB4CHRNA3SLC6A2SLC6A4SLC6A3
SCHEMBL7600904 0.78 CHRNB4 (0.43) CHRNB4CHRNA3SLC6A2SLC6A4SLC6A3
SCHEMBL13416621 0.78 CHRNB4 (0.43) CHRNB4CHRNA3SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193714-B2 Fluorinated estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS, INC. (US) 2015-11-24 — — US disclosed
US-20150005286-A1 FLUORINATED ESTROGEN RECEPTOR MODULATORS AND USES THEREOF SERAGON PHARMACEUTICALS, INC. 2015-01-01 — — US disclosed
WO-2013090836-A1 FLUORINATED ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-06-20 — — WO 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-20150005286-A1 FLUORINATED ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GPER1, ESR2, ESRRG CHRNB4 1139/4885CHRNA3 792/4885SLC6A2 3947/4885

“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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