SCHEMBL18150752

SCHEMBL18150752

COC(=O)C1CCC(=O)N(Cc2ccc(OC)cc2)C1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 4/20 0.55
POLB P06746 1/20 0.49
HCRTR1 O43613 5/20 0.47
HCRTR2 O43614 5/20 0.47
TDP1 Q9NUW8 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.43
MDM2 Q00987 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL18150553 0.91 KMT2A (0.71) KMT2AALDH1A1MEN1POLBHCRTR1
SCHEMBL14920390 0.85 KMT2A (0.45) KMT2AALDH1A1MEN1HCRTR1HCRTR2
SCHEMBL9027772 0.84 KMT2A (0.53) KMT2AALDH1A1MEN1HCRTR1HCRTR2
SCHEMBL9027753 0.84 KMT2A (0.53) KMT2AALDH1A1MEN1HCRTR1HCRTR2
SCHEMBL9027766 0.84 KMT2A (0.53) KMT2AALDH1A1MEN1HCRTR1HCRTR2
SCHEMBL18150694 0.82 KMT2A (0.51) KMT2AALDH1A1MEN1HCRTR1HCRTR2
SCHEMBL18151005 0.80 KMT2A (0.51) KMT2AALDH1A1MEN1HCRTR1HCRTR2
SCHEMBL10378752 0.80 KMT2A (0.58) KMT2AMEN1POLBHCRTR1HCRTR2
SCHEMBL7491535 0.80 KMT2A (0.58) KMT2AMEN1POLBHCRTR1HCRTR2
SCHEMBL18151450 0.80 MEN1 (0.48) KMT2AALDH1A1MEN1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
EP-3288939-A1 TRICYCLIC MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-03-07 EP disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 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 (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-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 KMT2A 4542/4885ALDH1A1 1896/4885MEN1 2587/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 KMT2A 4542/4885ALDH1A1 1896/4885MEN1 2587/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 KMT2A 4542/4885ALDH1A1 1896/4885MEN1 2587/4885

“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.