SCHEMBL20186644

SCHEMBL20186644

CCCC(CN)NC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.43
TAS1R3 Q7RTX0 15/20 0.42
TAS1R1 Q7RTX1 15/20 0.42
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL19924266 0.88 DNM1 (0.49) DNM1TDP1SLC1A3SLC1A2SLC1A1
SCHEMBL19924264 0.88 DNM1 (0.49) DNM1TDP1SLC1A3SLC1A2SLC1A1
SCHEMBL5133204 0.86 TAS1R3 (0.50) TAS1R3TAS1R1CHRM1AKR1A1CHRM3
SCHEMBL7603286 0.84 DNM1 (0.54) DNM1GRIK1GRIK2
SCHEMBL7603289 0.84 DNM1 (0.54) DNM1GRIK1GRIK2
SCHEMBL16094266 0.82
SCHEMBL6717845 0.82 TAS1R3 (0.50) TAS1R3TAS1R1CHRM1AKR1A1CHRM3
SCHEMBL15152152 0.81
Hydrochloric Acid SCHEMBL20186402 0.80 DNM1 (0.40) DNM1TAS1R3TAS1R1TDP1SLC1A3
SCHEMBL4284741 0.80 CNR1 (0.41) TAS1R3TAS1R1CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548495-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-01-27 EP disclosed
EP-3765447-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS Kezar Life Sciences (US) 2021-01-20 EP disclosed
WO-2019178510-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-09-19 WO disclosed
US-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-10-16 US disclosed
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 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 (2 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-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors CAMK1, CAMKK1, CAMK1D DNM1 2947/4885TAS1R3 4119/4885TAS1R1 4114/4885
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D DNM1 2947/4885TAS1R3 4119/4885TAS1R1 4114/4885

“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.