SCHEMBL6718455

SCHEMBL6718455

O=C(N1CCc2ccccc2C1c1ccc(O)cc1)C(F)(F)F

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.77
ESR2 Q92731 5/20 0.77
TRPM8 Q7Z2W7 13/20 0.56

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
SCHEMBL6715340 0.87 ESR1 (1.00) ESR1ESR2
SCHEMBL6723023 0.87 ESR1 (1.00) ESR1ESR2
SCHEMBL6713380 0.85 ESR1 (1.00) ESR1ESR2
SCHEMBL22776287 0.84 ESR1 (0.55) ESR1ESR2TRPM8
SCHEMBL6716322 0.83 ESR1 (0.59) ESR1ESR2TRPM8
SCHEMBL6723073 0.81 ESR1 (1.00) ESR1ESR2
SCHEMBL6716363 0.81 ESR1 (0.86) ESR1ESR2
SCHEMBL6715364 0.80 ESR1 (0.77) ESR1ESR2
SCHEMBL3185939 0.79 TRPM8 (0.74) TRPM8
SCHEMBL3185948 0.79 TRPM8 (0.74) TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040192685-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists CAMERON KIMBERLY O (US) 2004-09-30 US disclosed
US-20030220494-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists CAMERON KIMBERLY O (US) 2003-11-27 US disclosed
US-6608203-B2 Devoid of unwanted side effects PFIZER INC. 2003-08-19 US disclosed
US-20010039285-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists CAMERON KIMBERLY O (US) 2001-11-08 US disclosed
EP-1113007-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists PFIZER INC. (US) 2001-07-04 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 (3 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-20010039285-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 ESR1 2/4885ESR2 3/4885TRPM8 905/4885
US-20030220494-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 ESR1 2/4885ESR2 3/4885TRPM8 905/4885
US-20040192685-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 ESR1 2/4885ESR2 3/4885TRPM8 905/4885

“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.