SCHEMBL1448124

SCHEMBL1448124

CC1CN(c2ncc(Br)cn2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.61
MAP4K4 O95819 1/20 0.51
HDAC1 Q13547 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
SETD7 Q8WTS6 1/20 0.42
GRM1 Q13255 1/20 0.42
SUV39H2 Q9H5I1 1/20 0.41
MAPT P10636 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
SLC6A7 Q99884 2/20 0.40

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
SCHEMBL1448125 1.00 GPR119 (0.61) GPR119MAP4K4HDAC1CHRM5CHRM1
SCHEMBL12740848 1.00 GPR119 (0.61) GPR119MAP4K4HDAC1CHRM5CHRM1
SCHEMBL23560775 0.89 GPR119 (0.62) GPR119MAP4K4HDAC1SETD7GRM1
SCHEMBL1448170 0.89 GPR119 (0.65) GPR119MAP4K4HDAC1SETD7GRM1
SCHEMBL1448169 0.89 GPR119 (0.65) GPR119MAP4K4HDAC1SETD7GRM1
SCHEMBL12740835 0.89 GPR119 (0.65) GPR119MAP4K4HDAC1SETD7GRM1
SCHEMBL23560705 0.88 GPR119 (0.61) GPR119MAP4K4HDAC1CHRM1GRM1
SCHEMBL20158931 0.88 GPR119 (0.61) GPR119MAP4K4HDAC1CHRM1GRM1
SCHEMBL23560974 0.88 GPR119 (0.61) GPR119MAP4K4HDAC1SETD7GRM1
SCHEMBL20913420 0.87 GPR119 (0.60) GPR119MAP4K4HDAC1SETD7GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273238-B2 Indazolones as modulators of TNF signaling ABBVIE INC. (US) 2019-04-30 US disclosed
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-10160748-B2 Indazolones as modulators of tnf signaling ABBVIE INC. (US) 2018-12-25 US disclosed
US-20180215764-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-08-02 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-03-29 US disclosed
US-9879016-B2 Indazolones as modulators of TNF signaling ABBVIE INC. (US) 2018-01-30 US 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
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
US-20160304526-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
US-20110065706-A1 Therapeutic Agents 812 ASTRAZENECA AB (SE) 2011-03-17 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 (10 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-20180215764-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, TNFRSF9, TNFRSF1A GPR119 750/4885MAP4K4 204/4885HDAC1 1986/4885
US-20160304526-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, TNFRSF9, TNFRSF1A GPR119 750/4885MAP4K4 204/4885HDAC1 1986/4885
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A GPR119 976/4885MAP4K4 170/4885HDAC1 1884/4885
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A GPR119 976/4885MAP4K4 170/4885HDAC1 1884/4885
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 GPR119 1393/4885MAP4K4 335/4885HDAC1 967/4885
US-10160748-B2 Indazolones as modulators of tnf signaling TNF, CD40, TNFRSF1A GPR119 976/4885MAP4K4 170/4885HDAC1 1884/4885
US-10273238-B2 Indazolones as modulators of TNF signaling TNF, TNFRSF9, TNFRSF1A GPR119 750/4885MAP4K4 204/4885HDAC1 1986/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 GPR119 1393/4885MAP4K4 335/4885HDAC1 967/4885
US-20110065706-A1 Therapeutic Agents 812 GPR119, GPR84, GPR132 GPR119 1/4885MAP4K4 2128/4885HDAC1 1236/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 GPR119 1393/4885MAP4K4 335/4885HDAC1 967/4885

“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.