SCHEMBL19731647

SCHEMBL19731647

FCCCN1CC([C@H](F)c2cc(F)cc(F)c2)C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCL5 P13501 1/20 0.31
CCR5 P51681 1/20 0.31
SIGMAR1 Q99720 1/20 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
SCHEMBL19734482 1.00 CCL5 (0.31) CCL5CCR5SIGMAR1
SCHEMBL19731754 0.83 HTR2A (0.37) CCL5CCR5SIGMAR1
SCHEMBL19731725 0.83 HTR2A (0.37) CCL5CCR5SIGMAR1
SCHEMBL18249640 0.83 CCL5 (0.36) CCL5CCR5
SCHEMBL19734481 0.80 ESR1 (0.30)
SCHEMBL19734479 0.80 SIGMAR1 (0.33) SIGMAR1
SCHEMBL18249608 0.79 CCL5 (0.33) CCL5CCR5
SCHEMBL24362653 0.77 SIGMAR1 (0.35) SIGMAR1
SCHEMBL18249646 0.76 SLC6A2 (0.33) CCL5CCR5SIGMAR1
Oxalic Acid SCHEMBL18249620 0.76 CCR5 (0.39) CCL5CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017216280-A1 TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-12-21 WO disclosed
US-20170362228-A1 TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-12-21 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-20170362228-A1 TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, GPER1, ESR1 CCL5 3735/4885CCR5 2132/4885SIGMAR1 613/4885

“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.