SCHEMBL18151601

SCHEMBL18151601

COc1ccccc1[C@H]1COCc2nc3ccc(Br)cc3n21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.34
GRM2 Q14416 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 2/20 0.33
NQO2 P16083 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TNF P01375 2/20 0.33
MAPT P10636 5/20 0.33
ALDH1A1 P00352 3/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
HTR2B P41595 1/20 0.33
NPC1 O15118 3/20 0.32

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
SCHEMBL18153418 1.00 DRD2 (0.34) DRD2GRM2MEN1KMT2ASMN1; SMN2
SCHEMBL18159769 0.87 TNF (0.42) KMT2ATNFGAAHTR2BTSHR
SCHEMBL18151454 0.87 TNF (0.42) KMT2ATNFGAAHTR2BTSHR
SCHEMBL18151018 0.84 EPAS1 (0.34) MAPTTP53
SCHEMBL18151433 0.84 TNF (0.44) DRD2GRM2MEN1KMT2ASMN1; SMN2
SCHEMBL18151734 0.84 PDE2A (0.37) SMN1; SMN2MAPTTP53NPM1ALK
SCHEMBL18150334 0.84 PDE2A (0.37) SMN1; SMN2MAPTTP53NPM1ALK
SCHEMBL18153327 0.82 TNF (0.39) DRD2MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL18150892 0.82 TNF (0.39) DRD2MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL18150861 0.81 DRD3 (0.33) GRM2TNFGAAHTR2B

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 8 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-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 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
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
US-20160304517-A1 TRICYCLIC 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 (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 DRD2 860/4885GRM2 1635/4885MEN1 2587/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 DRD2 860/4885GRM2 1635/4885MEN1 2587/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 DRD2 860/4885GRM2 1635/4885MEN1 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.