SCHEMBL18145697

SCHEMBL18145697

CC1CN(c2ncc(Br)cn2)CCN1C(=O)CO

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.50
CHRM5 P08912 1/20 0.50
CHRM3 P20309 1/20 0.50
CXCR3 P49682 1/20 0.45
GRM1 Q13255 1/20 0.44
TNF P01375 2/20 0.43
SLC6A7 Q99884 2/20 0.42
GPR119 Q8TDV5 2/20 0.41
PIK3CD O00329 7/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 3/20 0.39
PIK3R1 P27986 1/20 0.39

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
SCHEMBL18145695 1.00 CHRM1 (0.50) CHRM1CHRM5CHRM3CXCR3GRM1
SCHEMBL18145765 0.85 CHRM1 (0.50) CHRM1CHRM5CHRM3CXCR3GRM1
SCHEMBL18145739 0.85 CHRM1 (0.53) CHRM1CHRM5CHRM3CXCR3GRM1
SCHEMBL18145764 0.85 CHRM1 (0.50) CHRM1CHRM5CHRM3CXCR3GRM1
SCHEMBL18149225 0.84 CHRM4 (0.43) CHRM1CHRM5CHRM3CXCR3GRM1
SCHEMBL18149227 0.84 CHRM4 (0.43) CHRM1CHRM5CHRM3CXCR3GRM1
SCHEMBL18149289 0.84 GRM1 (0.47) CHRM1GRM1
SCHEMBL18149286 0.84 GRM1 (0.47) CHRM1GRM1
SCHEMBL18150972 0.83 CHRM1 (0.48) CHRM1CHRM5CHRM3CXCR3GRM1
SCHEMBL18149897 0.83 CHRM1 (0.48) CHRM1CHRM5CHRM3CXCR3GRM1

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 11 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
EP-3294726-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-03-21 EP disclosed
US-9879016-B2 Indazolones as modulators of TNF signaling ABBVIE INC. (US) 2018-01-30 US disclosed
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
WO-2016168633-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO disclosed
US-20160304526-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 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 (8 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 CHRM1 1019/4885CHRM5 1931/4885CHRM3 1966/4885
US-20160304526-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, TNFRSF9, TNFRSF1A CHRM1 1019/4885CHRM5 1931/4885CHRM3 1966/4885
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A CHRM1 1169/4885CHRM5 1918/4885CHRM3 1678/4885
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A CHRM1 1169/4885CHRM5 1918/4885CHRM3 1678/4885
US-10160748-B2 Indazolones as modulators of tnf signaling TNF, CD40, TNFRSF1A CHRM1 1169/4885CHRM5 1918/4885CHRM3 1678/4885
US-10273238-B2 Indazolones as modulators of TNF signaling TNF, TNFRSF9, TNFRSF1A CHRM1 1019/4885CHRM5 1931/4885CHRM3 1966/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 CHRM1 1748/4885CHRM5 2573/4885CHRM3 2636/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 CHRM1 1748/4885CHRM5 2573/4885CHRM3 2636/4885

“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.