SCHEMBL19224563

SCHEMBL19224563

COC(=O)c1cc(Br)cn1CCCC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNF P01375 5/20 0.36
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
NR1H2 P55055 1/20 0.32
STING1 Q86WV6 1/20 0.32
KAT2B Q92831 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CNR2 P34972 2/20 0.31
CAMK2D Q13557 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL19224568 0.87 TNF (0.36) TNFFPR3FPR2HDAC8MTNR1A
SCHEMBL19879531 0.85 TNF (0.37) TNFFPR3FPR2HDAC8MTNR1A
SCHEMBL4610689 0.84 FPR2 (0.38) FPR2MTNR1AMTNR1BNR1H2
SCHEMBL28699281 0.83 CAMK2D (0.45) FPR3FPR2CAMK2D
SCHEMBL29237103 0.80 DRD2 (0.41) FPR3FPR2CAMK2D
SCHEMBL26135500 0.80 KAT2B (0.38) KAT2BSMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL19228461 0.79 CNR2 (0.39) TNFFPR3FPR2HDAC8SMN1; SMN2
SCHEMBL28703474 0.79 KDM4E (0.38) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15230862 0.77 SMN1; SMN2 (0.37) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20562649 0.77 KDM4E (0.38) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-04-12 US disclosed
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-01-25 US disclosed
US-9815850-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2017-11-14 US disclosed
US-9815850-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2017-11-14 US disclosed
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2017-08-10 US disclosed
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2017-08-10 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-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB TNF 3965/4885FPR3 2547/4885FPR2 3520/4885
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB TNF 3965/4885FPR3 2547/4885FPR2 3520/4885
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB TNF 3965/4885FPR3 2547/4885FPR2 3520/4885

“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.