SCHEMBL3060013

SCHEMBL3060013

O=C(N1CCc2cc(CN3CCCCC3)ccc2C1)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.61
ESR2 Q92731 5/20 0.61
HRH3 Q9Y5N1 3/20 0.44
FAAH O00519 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
ABHD6 Q9BV23 3/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MGLL Q99685 1/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL2333879 0.96 ESR1 (0.62) ESR1ESR2FAAHHPGDABHD6
SCHEMBL4510484 0.80 KEAP1 (0.61) ALDH1A1KDM4EGAAHDAC6
SCHEMBL13439632 0.79 KCNJ1 (0.48) ESR1ESR2HRH3HPGDABHD6
SCHEMBL13650396 0.78 ESR1 (0.68) ESR1ESR2ABHD6HDAC8HDAC6
SCHEMBL22070855 0.78 ESR1 (0.68) ESR1ESR2ABHD6HDAC8HDAC6
SCHEMBL565064 0.76 ESR1 (0.58) ESR1ESR2FAAHABHD6HDAC8
SCHEMBL8176145 0.76 ESR2 (1.00) ESR1ESR2ABHD6HDAC8HDAC6
SCHEMBL3698807 0.76 HSP90AA1 (0.49) HRH3FAAHALDH1A1HTTCYP2D6
SCHEMBL14677183 0.75 ESR2 (0.59) ESR1ESR2ALDH1A1HPGDHTT
SCHEMBL25206226 0.75 ESR2 (0.76) ESR1ESR2ABHD6GAAHDAC8

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-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB ESR1 1504/4885ESR2 1590/4885HRH3 53/4885

“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.