SCHEMBL19086863

SCHEMBL19086863

CN(C)C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.68
DRD4 P21917 3/20 0.64
KMT2A Q03164 2/20 0.64
DRD2 P14416 1/20 0.64
DRD3 P35462 1/20 0.64
POLB P06746 2/20 0.63
DPP7 Q9UHL4 1/20 0.62
MEN1 O00255 1/20 0.60

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
SCHEMBL14100583 0.88 SIGMAR1 (0.63) SIGMAR1DRD4KMT2ADRD2DRD3
SCHEMBL3164487 0.84 SIGMAR1 (0.74) SIGMAR1DRD4KMT2ADRD2DRD3
SCHEMBL2425554 0.84 SIGMAR1 (0.78) SIGMAR1DRD4KMT2ADRD2DRD3
SCHEMBL6500245 0.84 SIGMAR1 (0.73) SIGMAR1POLB
Hydrochloric Acid SCHEMBL21410212 0.82 SIGMAR1 (0.76) SIGMAR1DRD4KMT2ADRD2DRD3
SCHEMBL7144272 0.82 SIGMAR1 (0.60) SIGMAR1DRD4KMT2ADRD2DRD3
SCHEMBL7268908 0.82 SIGMAR1 (0.79) SIGMAR1POLB
SCHEMBL13102958 0.82 SIGMAR1 (0.70) SIGMAR1DRD4KMT2ADRD2DRD3
SCHEMBL5230894 0.81 SIGMAR1 (0.74) SIGMAR1DRD4KMT2ADRD2DRD3
SCHEMBL28996046 0.81 SIGMAR1 (0.74) SIGMAR1DRD4KMT2ADRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3190116-B1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME NIPPON SHINYAKU CO LTD (JP) 2020-08-05 EP disclosed
US-9999622-B2 Pyrazolothiazole compound and medicine comprising same NIPPON SHINYAKU CO., LTD. (JP) 2018-06-19 US disclosed
US-9937176-B2 Pyrazolothiazole compound and medicine comprising same NIPPON SHINYAKU CO., LTD. (JP) 2018-04-10 US disclosed
US-20180092919-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME NIPPON SHINYAKU CO., LTD. (JP) 2018-04-05 US disclosed
US-20170252341-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME NIPPON SHINYAKU CO., LTD. (JP) 2017-09-07 US disclosed
EP-3190116-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2017-07-12 EP 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-20180092919-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME JAK1, JAK2, JAK3 SIGMAR1 2941/4885DRD4 2650/4885KMT2A 3230/4885
US-20170252341-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME JAK1, JAK2, JAK3 SIGMAR1 2941/4885DRD4 2650/4885KMT2A 3230/4885

“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.