SCHEMBL5577157

SCHEMBL5577157

CNS(=O)(=O)c1cc(C(=O)CCCCNCCc2ccccc2OC(F)(F)F)cc2c1CCC2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 5/20 0.37
DRD2 P14416 4/20 0.34
SLC6A3 Q01959 4/20 0.34
VNN1 O95497 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
METAP2 P50579 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC6A2 P23975 1/20 0.31
RORC P51449 1/20 0.31
SMURF2 Q9HAU4 1/20 0.30
SMURF1 Q9HCE7 1/20 0.30
HTT P42858 1/20 0.30

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
Hydrochloric Acid SCHEMBL5310762 0.99 SLC2A1 (0.36) SLC2A1DRD2SLC6A3VNN1HSD17B13
SCHEMBL5308537 0.90 SLC2A1 (0.36) SLC2A1DRD2SLC6A3VNN1HSD17B13
Hydrochloric Acid SCHEMBL5308736 0.90 SLC2A1 (0.36) SLC2A1DRD2SLC6A3VNN1HSD17B13
SCHEMBL5576958 0.87 DRD2 (0.36) DRD2SLC6A3TDP1HDAC6METAP2
SCHEMBL5308109 0.86 PTGS1 (0.37) SLC2A1DRD2SLC6A3VNN1HSD17B13
SCHEMBL5576963 0.86 DRD2 (0.35) DRD2SLC6A3METAP2SLC6A2
Hydrochloric Acid SCHEMBL5313916 0.85 PTGS1 (0.37) SLC2A1DRD2SLC6A3VNN1HSD17B13
SCHEMBL14529640 0.84 HSD17B13 (0.36) SLC2A1DRD2SLC6A3VNN1HSD17B13
SCHEMBL14513390 0.81 SLC2A1 (0.46) SLC2A1
Hydrochloric Acid SCHEMBL5330503 0.80 SLC2A1 (0.46) SLC2A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007052831-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-10 WO disclosed
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 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 (1 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-20070099986-A1 Preventives/remedies for urinary disturbance REN, GLS, ATP6V1B1 SLC2A1 390/4885DRD2 1113/4885SLC6A3 594/4885

“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.