SCHEMBL19731725

SCHEMBL19731725

O[C@H](c1cc(F)cc(F)c1)C1CN(CCCF)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.37
CYP2D6 P10635 1/20 0.37
HTR2C P28335 2/20 0.36
HTR7 P34969 2/20 0.36
SIGMAR1 Q99720 3/20 0.32
HTR6 P50406 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CCL5 P13501 2/20 0.31
CCR5 P51681 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
DRD2 P14416 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
SCHEMBL19731754 1.00 HTR2A (0.37) HTR2ACYP2D6HTR2CHTR7SIGMAR1
SCHEMBL19734482 0.83 CCL5 (0.31) SIGMAR1CCL5CCR5
SCHEMBL19734693 0.83 CCR5 (0.38) HTR2ACYP2D6HTR2CHTR7HTR6
SCHEMBL19731647 0.83 CCL5 (0.31) SIGMAR1CCL5CCR5
SCHEMBL19734729 0.81 CCR5 (0.36) HTR2ACYP2D6HTR2CHTR7CCL5
SCHEMBL19734481 0.78 ESR1 (0.30)
SCHEMBL19734479 0.78 SIGMAR1 (0.33) SIGMAR1
SCHEMBL24357829 0.78 HTR2A (0.39) HTR2ACYP2D6HTR2CHTR7HRH3
SCHEMBL29599495 0.78 HTR2A (0.39) HTR2ACYP2D6HTR2CHTR7HRH3
SCHEMBL28195957 0.77 HTR2A (0.34) HTR2ACYP2D6HTR2CHTR7

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
US-20170362228-A1 TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-12-21 US disclosed
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

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 HTR2A 41/4885CYP2D6 270/4885HTR2C 26/4885

“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.